update: python module & PSO

Infant83 · Feb 21, 2021 · 00de3fa · 00de3fa
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diff --git a/...ple/2.1H-MoS2/1.Minimal_basis_sets/README → Example/1H-MoS2/1.Minimal_basis_sets/README b/...ple/2.1H-MoS2/1.Minimal_basis_sets/README → Example/1H-MoS2/1.Minimal_basis_sets/README
diff --git a/...1H-MoS2/1.Minimal_basis_sets/SOC/BAND.eps → ...1H-MoS2/1.Minimal_basis_sets/SOC/BAND.eps b/...1H-MoS2/1.Minimal_basis_sets/SOC/BAND.eps → ...1H-MoS2/1.Minimal_basis_sets/SOC/BAND.eps
diff --git a/...ts/SOC/BERRY_CURVATURE/band_mode/BAND.eps → ...ts/SOC/BERRY_CURVATURE/band_mode/BAND.eps b/...ts/SOC/BERRY_CURVATURE/band_mode/BAND.eps → ...ts/SOC/BERRY_CURVATURE/band_mode/BAND.eps
diff --git a/...Y_CURVATURE/band_mode/BERRYCURV.17-18.dat → ...Y_CURVATURE/band_mode/BERRYCURV.17-18.dat b/...Y_CURVATURE/band_mode/BERRYCURV.17-18.dat → ...Y_CURVATURE/band_mode/BERRYCURV.17-18.dat
diff --git a/...RVATURE/band_mode/BERRYCURV_TBA.total.dat → ...RVATURE/band_mode/BERRYCURV_TBA.total.dat b/...RVATURE/band_mode/BERRYCURV_TBA.total.dat → ...RVATURE/band_mode/BERRYCURV_TBA.total.dat
diff --git a/...URVATURE/band_mode/DOS_atom_projected.dat → ...URVATURE/band_mode/DOS_atom_projected.dat b/...URVATURE/band_mode/DOS_atom_projected.dat → ...URVATURE/band_mode/DOS_atom_projected.dat
diff --git a/...ts/SOC/BERRY_CURVATURE/band_mode/INCAR-TB → ...ts/SOC/BERRY_CURVATURE/band_mode/INCAR-TB b/...ts/SOC/BERRY_CURVATURE/band_mode/INCAR-TB → ...ts/SOC/BERRY_CURVATURE/band_mode/INCAR-TB
diff --git a/...OC/BERRY_CURVATURE/band_mode/KPOINTS_BAND → ...OC/BERRY_CURVATURE/band_mode/KPOINTS_BAND b/...OC/BERRY_CURVATURE/band_mode/KPOINTS_BAND → ...OC/BERRY_CURVATURE/band_mode/KPOINTS_BAND
diff --git a/...C/BERRY_CURVATURE/band_mode/PARAM_FIT.dat → ...C/BERRY_CURVATURE/band_mode/PARAM_FIT.dat b/...C/BERRY_CURVATURE/band_mode/PARAM_FIT.dat → ...C/BERRY_CURVATURE/band_mode/PARAM_FIT.dat
diff --git a/...sets/SOC/BERRY_CURVATURE/band_mode/POSCAR → ...sets/SOC/BERRY_CURVATURE/band_mode/POSCAR b/...sets/SOC/BERRY_CURVATURE/band_mode/POSCAR → ...sets/SOC/BERRY_CURVATURE/band_mode/POSCAR
diff --git a/...s/SOC/BERRY_CURVATURE/band_mode/POSCAR-TB → ...s/SOC/BERRY_CURVATURE/band_mode/POSCAR-TB b/...s/SOC/BERRY_CURVATURE/band_mode/POSCAR-TB → ...s/SOC/BERRY_CURVATURE/band_mode/POSCAR-TB
diff --git a/...URVATURE/band_mode/band_structure_DFT.dat → ...URVATURE/band_mode/band_structure_DFT.dat b/...URVATURE/band_mode/band_structure_DFT.dat → ...URVATURE/band_mode/band_structure_DFT.dat
diff --git a/...URVATURE/band_mode/band_structure_TBA.dat → ...URVATURE/band_mode/band_structure_TBA.dat b/...URVATURE/band_mode/band_structure_TBA.dat → ...URVATURE/band_mode/band_structure_TBA.dat
diff --git a/...C/BERRY_CURVATURE/band_mode/gnuBAND-TB.gp → ...C/BERRY_CURVATURE/band_mode/gnuBAND-TB.gp b/...C/BERRY_CURVATURE/band_mode/gnuBAND-TB.gp → ...C/BERRY_CURVATURE/band_mode/gnuBAND-TB.gp
diff --git a/...SOC/BERRY_CURVATURE/band_mode/hopping.dat → ...SOC/BERRY_CURVATURE/band_mode/hopping.dat b/...SOC/BERRY_CURVATURE/band_mode/hopping.dat → ...SOC/BERRY_CURVATURE/band_mode/hopping.dat
diff --git a/...C/BERRY_CURVATURE/band_mode/temp/BAND.eps → ...C/BERRY_CURVATURE/band_mode/temp/BAND.eps b/...C/BERRY_CURVATURE/band_mode/temp/BAND.eps → ...C/BERRY_CURVATURE/band_mode/temp/BAND.eps
diff --git a/...VATURE/band_mode/temp/BERRYCURV.17-18.dat → ...VATURE/band_mode/temp/BERRYCURV.17-18.dat b/...VATURE/band_mode/temp/BERRYCURV.17-18.dat → ...VATURE/band_mode/temp/BERRYCURV.17-18.dat
diff --git a/...RE/band_mode/temp/BERRYCURV_TBA.total.dat → ...RE/band_mode/temp/BERRYCURV_TBA.total.dat b/...RE/band_mode/temp/BERRYCURV_TBA.total.dat → ...RE/band_mode/temp/BERRYCURV_TBA.total.dat
diff --git a/...URE/band_mode/temp/DOS_atom_projected.dat → ...URE/band_mode/temp/DOS_atom_projected.dat b/...URE/band_mode/temp/DOS_atom_projected.dat → ...URE/band_mode/temp/DOS_atom_projected.dat
diff --git a/...C/BERRY_CURVATURE/band_mode/temp/INCAR-TB → ...C/BERRY_CURVATURE/band_mode/temp/INCAR-TB b/...C/BERRY_CURVATURE/band_mode/temp/INCAR-TB → ...C/BERRY_CURVATURE/band_mode/temp/INCAR-TB
diff --git a/...RRY_CURVATURE/band_mode/temp/KPOINTS_BAND → ...RRY_CURVATURE/band_mode/temp/KPOINTS_BAND b/...RRY_CURVATURE/band_mode/temp/KPOINTS_BAND → ...RRY_CURVATURE/band_mode/temp/KPOINTS_BAND
diff --git a/...RY_CURVATURE/band_mode/temp/PARAM_FIT.dat → ...RY_CURVATURE/band_mode/temp/PARAM_FIT.dat b/...RY_CURVATURE/band_mode/temp/PARAM_FIT.dat → ...RY_CURVATURE/band_mode/temp/PARAM_FIT.dat
diff --git a/...SOC/BERRY_CURVATURE/band_mode/temp/POSCAR → ...SOC/BERRY_CURVATURE/band_mode/temp/POSCAR b/...SOC/BERRY_CURVATURE/band_mode/temp/POSCAR → ...SOC/BERRY_CURVATURE/band_mode/temp/POSCAR
diff --git a/.../BERRY_CURVATURE/band_mode/temp/POSCAR-TB → .../BERRY_CURVATURE/band_mode/temp/POSCAR-TB b/.../BERRY_CURVATURE/band_mode/temp/POSCAR-TB → .../BERRY_CURVATURE/band_mode/temp/POSCAR-TB
diff --git a/...URE/band_mode/temp/band_structure_DFT.dat → ...URE/band_mode/temp/band_structure_DFT.dat b/...URE/band_mode/temp/band_structure_DFT.dat → ...URE/band_mode/temp/band_structure_DFT.dat
diff --git a/...URE/band_mode/temp/band_structure_TBA.dat → ...URE/band_mode/temp/band_structure_TBA.dat b/...URE/band_mode/temp/band_structure_TBA.dat → ...URE/band_mode/temp/band_structure_TBA.dat
diff --git a/...RY_CURVATURE/band_mode/temp/gnuBAND-TB.gp → ...RY_CURVATURE/band_mode/temp/gnuBAND-TB.gp b/...RY_CURVATURE/band_mode/temp/gnuBAND-TB.gp → ...RY_CURVATURE/band_mode/temp/gnuBAND-TB.gp
diff --git a/...ERRY_CURVATURE/band_mode/temp/hopping.dat → ...ERRY_CURVATURE/band_mode/temp/hopping.dat b/...ERRY_CURVATURE/band_mode/temp/hopping.dat → ...ERRY_CURVATURE/band_mode/temp/hopping.dat
diff --git a/...s/SOC/BERRY_CURVATURE/kgrid_mode/BAND.eps → ...s/SOC/BERRY_CURVATURE/kgrid_mode/BAND.eps b/...s/SOC/BERRY_CURVATURE/kgrid_mode/BAND.eps → ...s/SOC/BERRY_CURVATURE/kgrid_mode/BAND.eps
diff --git a/..._CURVATURE/kgrid_mode/BERRYCURV.17-18.dat → ..._CURVATURE/kgrid_mode/BERRYCURV.17-18.dat b/..._CURVATURE/kgrid_mode/BERRYCURV.17-18.dat → ..._CURVATURE/kgrid_mode/BERRYCURV.17-18.dat
diff --git a/...VATURE/kgrid_mode/BERRYCURV_TBA.total.dat → ...VATURE/kgrid_mode/BERRYCURV_TBA.total.dat b/...VATURE/kgrid_mode/BERRYCURV_TBA.total.dat → ...VATURE/kgrid_mode/BERRYCURV_TBA.total.dat
diff --git a/...s/SOC/BERRY_CURVATURE/kgrid_mode/INCAR-TB → ...s/SOC/BERRY_CURVATURE/kgrid_mode/INCAR-TB b/...s/SOC/BERRY_CURVATURE/kgrid_mode/INCAR-TB → ...s/SOC/BERRY_CURVATURE/kgrid_mode/INCAR-TB
diff --git a/...C/BERRY_CURVATURE/kgrid_mode/KPOINTS_BAND → ...C/BERRY_CURVATURE/kgrid_mode/KPOINTS_BAND b/...C/BERRY_CURVATURE/kgrid_mode/KPOINTS_BAND → ...C/BERRY_CURVATURE/kgrid_mode/KPOINTS_BAND
diff --git a/...ERRY_CURVATURE/kgrid_mode/KPOINTS_BAND_2D → ...ERRY_CURVATURE/kgrid_mode/KPOINTS_BAND_2D b/...ERRY_CURVATURE/kgrid_mode/KPOINTS_BAND_2D → ...ERRY_CURVATURE/kgrid_mode/KPOINTS_BAND_2D
diff --git a/...RRY_CURVATURE/kgrid_mode/KPOINTS_BAND_ZAK → ...RRY_CURVATURE/kgrid_mode/KPOINTS_BAND_ZAK b/...RRY_CURVATURE/kgrid_mode/KPOINTS_BAND_ZAK → ...RRY_CURVATURE/kgrid_mode/KPOINTS_BAND_ZAK
diff --git a/.../BERRY_CURVATURE/kgrid_mode/PARAM_FIT.dat → .../BERRY_CURVATURE/kgrid_mode/PARAM_FIT.dat b/.../BERRY_CURVATURE/kgrid_mode/PARAM_FIT.dat → .../BERRY_CURVATURE/kgrid_mode/PARAM_FIT.dat
diff --git a/...ets/SOC/BERRY_CURVATURE/kgrid_mode/POSCAR → ...ets/SOC/BERRY_CURVATURE/kgrid_mode/POSCAR b/...ets/SOC/BERRY_CURVATURE/kgrid_mode/POSCAR → ...ets/SOC/BERRY_CURVATURE/kgrid_mode/POSCAR
diff --git a/.../SOC/BERRY_CURVATURE/kgrid_mode/POSCAR-TB → .../SOC/BERRY_CURVATURE/kgrid_mode/POSCAR-TB b/.../SOC/BERRY_CURVATURE/kgrid_mode/POSCAR-TB → .../SOC/BERRY_CURVATURE/kgrid_mode/POSCAR-TB
diff --git a/...RVATURE/kgrid_mode/band_structure_DFT.dat → ...RVATURE/kgrid_mode/band_structure_DFT.dat b/...RVATURE/kgrid_mode/band_structure_DFT.dat → ...RVATURE/kgrid_mode/band_structure_DFT.dat
diff --git a/...RVATURE/kgrid_mode/band_structure_TBA.dat → ...RVATURE/kgrid_mode/band_structure_TBA.dat b/...RVATURE/kgrid_mode/band_structure_TBA.dat → ...RVATURE/kgrid_mode/band_structure_TBA.dat
diff --git a/..._CURVATURE/kgrid_mode/gnuBAND-TB.BC_2D.gp → ..._CURVATURE/kgrid_mode/gnuBAND-TB.BC_2D.gp b/..._CURVATURE/kgrid_mode/gnuBAND-TB.BC_2D.gp → ..._CURVATURE/kgrid_mode/gnuBAND-TB.BC_2D.gp
diff --git a/.../BERRY_CURVATURE/kgrid_mode/gnuBAND-TB.gp → .../BERRY_CURVATURE/kgrid_mode/gnuBAND-TB.gp b/.../BERRY_CURVATURE/kgrid_mode/gnuBAND-TB.gp → .../BERRY_CURVATURE/kgrid_mode/gnuBAND-TB.gp
diff --git a/...OC/BERRY_CURVATURE/kgrid_mode/hopping.dat → ...OC/BERRY_CURVATURE/kgrid_mode/hopping.dat b/...OC/BERRY_CURVATURE/kgrid_mode/hopping.dat → ...OC/BERRY_CURVATURE/kgrid_mode/hopping.dat
diff --git a/.../BERRY_CURVATURE/kgrid_mode/temp/BAND.eps → .../BERRY_CURVATURE/kgrid_mode/temp/BAND.eps b/.../BERRY_CURVATURE/kgrid_mode/temp/BAND.eps → .../BERRY_CURVATURE/kgrid_mode/temp/BAND.eps
diff --git a/...ATURE/kgrid_mode/temp/BERRYCURV.17-18.dat → ...ATURE/kgrid_mode/temp/BERRYCURV.17-18.dat b/...ATURE/kgrid_mode/temp/BERRYCURV.17-18.dat → ...ATURE/kgrid_mode/temp/BERRYCURV.17-18.dat
diff --git a/...E/kgrid_mode/temp/BERRYCURV_TBA.total.dat → ...E/kgrid_mode/temp/BERRYCURV_TBA.total.dat b/...E/kgrid_mode/temp/BERRYCURV_TBA.total.dat → ...E/kgrid_mode/temp/BERRYCURV_TBA.total.dat
diff --git a/.../BERRY_CURVATURE/kgrid_mode/temp/INCAR-TB → .../BERRY_CURVATURE/kgrid_mode/temp/INCAR-TB b/.../BERRY_CURVATURE/kgrid_mode/temp/INCAR-TB → .../BERRY_CURVATURE/kgrid_mode/temp/INCAR-TB
diff --git a/...RY_CURVATURE/kgrid_mode/temp/KPOINTS_BAND → ...RY_CURVATURE/kgrid_mode/temp/KPOINTS_BAND b/...RY_CURVATURE/kgrid_mode/temp/KPOINTS_BAND → ...RY_CURVATURE/kgrid_mode/temp/KPOINTS_BAND
diff --git a/...CURVATURE/kgrid_mode/temp/KPOINTS_BAND_2D → ...CURVATURE/kgrid_mode/temp/KPOINTS_BAND_2D b/...CURVATURE/kgrid_mode/temp/KPOINTS_BAND_2D → ...CURVATURE/kgrid_mode/temp/KPOINTS_BAND_2D
diff --git a/...URVATURE/kgrid_mode/temp/KPOINTS_BAND_ZAK → ...URVATURE/kgrid_mode/temp/KPOINTS_BAND_ZAK b/...URVATURE/kgrid_mode/temp/KPOINTS_BAND_ZAK → ...URVATURE/kgrid_mode/temp/KPOINTS_BAND_ZAK
diff --git a/...Y_CURVATURE/kgrid_mode/temp/PARAM_FIT.dat → ...Y_CURVATURE/kgrid_mode/temp/PARAM_FIT.dat b/...Y_CURVATURE/kgrid_mode/temp/PARAM_FIT.dat → ...Y_CURVATURE/kgrid_mode/temp/PARAM_FIT.dat
diff --git a/...OC/BERRY_CURVATURE/kgrid_mode/temp/POSCAR → ...OC/BERRY_CURVATURE/kgrid_mode/temp/POSCAR b/...OC/BERRY_CURVATURE/kgrid_mode/temp/POSCAR → ...OC/BERRY_CURVATURE/kgrid_mode/temp/POSCAR
diff --git a/...BERRY_CURVATURE/kgrid_mode/temp/POSCAR-TB → ...BERRY_CURVATURE/kgrid_mode/temp/POSCAR-TB b/...BERRY_CURVATURE/kgrid_mode/temp/POSCAR-TB → ...BERRY_CURVATURE/kgrid_mode/temp/POSCAR-TB
diff --git a/...RE/kgrid_mode/temp/band_structure_DFT.dat → ...RE/kgrid_mode/temp/band_structure_DFT.dat b/...RE/kgrid_mode/temp/band_structure_DFT.dat → ...RE/kgrid_mode/temp/band_structure_DFT.dat
diff --git a/...RE/kgrid_mode/temp/band_structure_TBA.dat → ...RE/kgrid_mode/temp/band_structure_TBA.dat b/...RE/kgrid_mode/temp/band_structure_TBA.dat → ...RE/kgrid_mode/temp/band_structure_TBA.dat
diff --git a/...ATURE/kgrid_mode/temp/gnuBAND-TB.BC_2D.gp → ...ATURE/kgrid_mode/temp/gnuBAND-TB.BC_2D.gp b/...ATURE/kgrid_mode/temp/gnuBAND-TB.BC_2D.gp → ...ATURE/kgrid_mode/temp/gnuBAND-TB.BC_2D.gp
diff --git a/...Y_CURVATURE/kgrid_mode/temp/gnuBAND-TB.gp → ...Y_CURVATURE/kgrid_mode/temp/gnuBAND-TB.gp b/...Y_CURVATURE/kgrid_mode/temp/gnuBAND-TB.gp → ...Y_CURVATURE/kgrid_mode/temp/gnuBAND-TB.gp
diff --git a/...RRY_CURVATURE/kgrid_mode/temp/hopping.dat → ...RRY_CURVATURE/kgrid_mode/temp/hopping.dat b/...RRY_CURVATURE/kgrid_mode/temp/hopping.dat → ...RRY_CURVATURE/kgrid_mode/temp/hopping.dat
diff --git a/...mal_basis_sets/SOC/DOS_atom_projected.dat → ...mal_basis_sets/SOC/DOS_atom_projected.dat b/...mal_basis_sets/SOC/DOS_atom_projected.dat → ...mal_basis_sets/SOC/DOS_atom_projected.dat
diff --git a/...sis_sets/SOC/DOS_atom_projected_nosoc.dat → ...sis_sets/SOC/DOS_atom_projected_nosoc.dat b/...sis_sets/SOC/DOS_atom_projected_nosoc.dat → ...sis_sets/SOC/DOS_atom_projected_nosoc.dat
diff --git a/...1H-MoS2/1.Minimal_basis_sets/SOC/INCAR-TB → ...1H-MoS2/1.Minimal_basis_sets/SOC/INCAR-TB b/...1H-MoS2/1.Minimal_basis_sets/SOC/INCAR-TB → ...1H-MoS2/1.Minimal_basis_sets/SOC/INCAR-TB
diff --git a/...oS2/1.Minimal_basis_sets/SOC/KPOINTS_BAND → ...oS2/1.Minimal_basis_sets/SOC/KPOINTS_BAND b/...oS2/1.Minimal_basis_sets/SOC/KPOINTS_BAND → ...oS2/1.Minimal_basis_sets/SOC/KPOINTS_BAND
diff --git a/...H-MoS2/1.Minimal_basis_sets/SOC/MoS2_TB.m → ...H-MoS2/1.Minimal_basis_sets/SOC/MoS2_TB.m b/...H-MoS2/1.Minimal_basis_sets/SOC/MoS2_TB.m → ...H-MoS2/1.Minimal_basis_sets/SOC/MoS2_TB.m
diff --git a/...S2/1.Minimal_basis_sets/SOC/PARAM_FIT.dat → ...S2/1.Minimal_basis_sets/SOC/PARAM_FIT.dat b/...S2/1.Minimal_basis_sets/SOC/PARAM_FIT.dat → ...S2/1.Minimal_basis_sets/SOC/PARAM_FIT.dat
diff --git a/....Minimal_basis_sets/SOC/PARAM_FIT.new.dat → ....Minimal_basis_sets/SOC/PARAM_FIT.new.dat b/....Minimal_basis_sets/SOC/PARAM_FIT.new.dat → ....Minimal_basis_sets/SOC/PARAM_FIT.new.dat
diff --git a/...mal_basis_sets/SOC/PARAM_FIT.new.dat_temp → ...mal_basis_sets/SOC/PARAM_FIT.new.dat_temp b/...mal_basis_sets/SOC/PARAM_FIT.new.dat_temp → ...mal_basis_sets/SOC/PARAM_FIT.new.dat_temp
diff --git a/...2.1H-MoS2/1.Minimal_basis_sets/SOC/POSCAR → ...e/1H-MoS2/1.Minimal_basis_sets/SOC/POSCAR b/...2.1H-MoS2/1.Minimal_basis_sets/SOC/POSCAR → ...e/1H-MoS2/1.Minimal_basis_sets/SOC/POSCAR
diff --git a/...H-MoS2/1.Minimal_basis_sets/SOC/POSCAR-TB → ...H-MoS2/1.Minimal_basis_sets/SOC/POSCAR-TB b/...H-MoS2/1.Minimal_basis_sets/SOC/POSCAR-TB → ...H-MoS2/1.Minimal_basis_sets/SOC/POSCAR-TB
diff --git a/...mal_basis_sets/SOC/band_structure_DFT.dat → ...mal_basis_sets/SOC/band_structure_DFT.dat b/...mal_basis_sets/SOC/band_structure_DFT.dat → ...mal_basis_sets/SOC/band_structure_DFT.dat
diff --git a/...mal_basis_sets/SOC/band_structure_TBA.dat → ...mal_basis_sets/SOC/band_structure_TBA.dat b/...mal_basis_sets/SOC/band_structure_TBA.dat → ...mal_basis_sets/SOC/band_structure_TBA.dat
diff --git a/...sis_sets/SOC/band_structure_TBA_tbfit.dat → ...sis_sets/SOC/band_structure_TBA_tbfit.dat b/...sis_sets/SOC/band_structure_TBA_tbfit.dat → ...sis_sets/SOC/band_structure_TBA_tbfit.dat
diff --git a/...S2/1.Minimal_basis_sets/SOC/gnuBAND-TB.gp → ...S2/1.Minimal_basis_sets/SOC/gnuBAND-TB.gp b/...S2/1.Minimal_basis_sets/SOC/gnuBAND-TB.gp → ...S2/1.Minimal_basis_sets/SOC/gnuBAND-TB.gp
diff --git a/...2/1.Minimal_basis_sets/SOC/gnuBAND-TB_.gp → ...2/1.Minimal_basis_sets/SOC/gnuBAND-TB_.gp b/...2/1.Minimal_basis_sets/SOC/gnuBAND-TB_.gp → ...2/1.Minimal_basis_sets/SOC/gnuBAND-TB_.gp
diff --git a/.../2.1H-MoS2/1.Minimal_basis_sets/SOC/ham.m → ...le/1H-MoS2/1.Minimal_basis_sets/SOC/ham.m b/.../2.1H-MoS2/1.Minimal_basis_sets/SOC/ham.m → ...le/1H-MoS2/1.Minimal_basis_sets/SOC/ham.m
diff --git a/...MoS2/1.Minimal_basis_sets/SOC/hopping.dat → ...MoS2/1.Minimal_basis_sets/SOC/hopping.dat b/...MoS2/1.Minimal_basis_sets/SOC/hopping.dat → ...MoS2/1.Minimal_basis_sets/SOC/hopping.dat
diff --git a/.../1.Minimal_basis_sets/mos2.example.tar.gz → .../1.Minimal_basis_sets/mos2.example.tar.gz b/.../1.Minimal_basis_sets/mos2.example.tar.gz → .../1.Minimal_basis_sets/mos2.example.tar.gz
diff --git a/...MoS2/1.Minimal_basis_sets/no_SOC/BAND.eps → ...MoS2/1.Minimal_basis_sets/no_SOC/BAND.eps b/...MoS2/1.Minimal_basis_sets/no_SOC/BAND.eps → ...MoS2/1.Minimal_basis_sets/no_SOC/BAND.eps
diff --git a/....Minimal_basis_sets/no_SOC/BAND_tbfit.eps → ....Minimal_basis_sets/no_SOC/BAND_tbfit.eps b/....Minimal_basis_sets/no_SOC/BAND_tbfit.eps → ....Minimal_basis_sets/no_SOC/BAND_tbfit.eps
diff --git a/..._basis_sets/no_SOC/DOS_atom_projected.dat → ..._basis_sets/no_SOC/DOS_atom_projected.dat b/..._basis_sets/no_SOC/DOS_atom_projected.dat → ..._basis_sets/no_SOC/DOS_atom_projected.dat
diff --git a/..._sets/no_SOC/DOS_atom_projected_nosoc.dat → ..._sets/no_SOC/DOS_atom_projected_nosoc.dat b/..._sets/no_SOC/DOS_atom_projected_nosoc.dat → ..._sets/no_SOC/DOS_atom_projected_nosoc.dat
diff --git a/...MoS2/1.Minimal_basis_sets/no_SOC/INCAR-TB → ...MoS2/1.Minimal_basis_sets/no_SOC/INCAR-TB b/...MoS2/1.Minimal_basis_sets/no_SOC/INCAR-TB → ...MoS2/1.Minimal_basis_sets/no_SOC/INCAR-TB
diff --git a/.../1.Minimal_basis_sets/no_SOC/KPOINTS_BAND → .../1.Minimal_basis_sets/no_SOC/KPOINTS_BAND b/.../1.Minimal_basis_sets/no_SOC/KPOINTS_BAND → .../1.Minimal_basis_sets/no_SOC/KPOINTS_BAND
diff --git a/...oS2/1.Minimal_basis_sets/no_SOC/MoS2_TB.m → ...oS2/1.Minimal_basis_sets/no_SOC/MoS2_TB.m b/...oS2/1.Minimal_basis_sets/no_SOC/MoS2_TB.m → ...oS2/1.Minimal_basis_sets/no_SOC/MoS2_TB.m
diff --git a/...1.Minimal_basis_sets/no_SOC/PARAM_FIT.dat → ...1.Minimal_basis_sets/no_SOC/PARAM_FIT.dat b/...1.Minimal_basis_sets/no_SOC/PARAM_FIT.dat → ...1.Minimal_basis_sets/no_SOC/PARAM_FIT.dat
diff --git a/...nimal_basis_sets/no_SOC/PARAM_FIT.new.dat → ...nimal_basis_sets/no_SOC/PARAM_FIT.new.dat b/...nimal_basis_sets/no_SOC/PARAM_FIT.new.dat → ...nimal_basis_sets/no_SOC/PARAM_FIT.new.dat
diff --git a/..._basis_sets/no_SOC/PARAM_FIT.new.dat_temp → ..._basis_sets/no_SOC/PARAM_FIT.new.dat_temp b/..._basis_sets/no_SOC/PARAM_FIT.new.dat_temp → ..._basis_sets/no_SOC/PARAM_FIT.new.dat_temp
diff --git a/...H-MoS2/1.Minimal_basis_sets/no_SOC/POSCAR → ...H-MoS2/1.Minimal_basis_sets/no_SOC/POSCAR b/...H-MoS2/1.Minimal_basis_sets/no_SOC/POSCAR → ...H-MoS2/1.Minimal_basis_sets/no_SOC/POSCAR
diff --git a/...oS2/1.Minimal_basis_sets/no_SOC/POSCAR-TB → ...oS2/1.Minimal_basis_sets/no_SOC/POSCAR-TB b/...oS2/1.Minimal_basis_sets/no_SOC/POSCAR-TB → ...oS2/1.Minimal_basis_sets/no_SOC/POSCAR-TB
diff --git a/..._basis_sets/no_SOC/band_structure_DFT.dat → ..._basis_sets/no_SOC/band_structure_DFT.dat b/..._basis_sets/no_SOC/band_structure_DFT.dat → ..._basis_sets/no_SOC/band_structure_DFT.dat
diff --git a/..._basis_sets/no_SOC/band_structure_TBA.dat → ..._basis_sets/no_SOC/band_structure_TBA.dat b/..._basis_sets/no_SOC/band_structure_TBA.dat → ..._basis_sets/no_SOC/band_structure_TBA.dat
diff --git a/..._sets/no_SOC/band_structure_TBA_tbfit.dat → ..._sets/no_SOC/band_structure_TBA_tbfit.dat b/..._sets/no_SOC/band_structure_TBA_tbfit.dat → ..._sets/no_SOC/band_structure_TBA_tbfit.dat
diff --git a/...1.Minimal_basis_sets/no_SOC/gnuBAND-TB.gp → ...1.Minimal_basis_sets/no_SOC/gnuBAND-TB.gp b/...1.Minimal_basis_sets/no_SOC/gnuBAND-TB.gp → ...1.Minimal_basis_sets/no_SOC/gnuBAND-TB.gp
diff --git a/....Minimal_basis_sets/no_SOC/gnuBAND-TB_.gp → ....Minimal_basis_sets/no_SOC/gnuBAND-TB_.gp b/....Minimal_basis_sets/no_SOC/gnuBAND-TB_.gp → ....Minimal_basis_sets/no_SOC/gnuBAND-TB_.gp
diff --git a/...1H-MoS2/1.Minimal_basis_sets/no_SOC/ham.m → ...1H-MoS2/1.Minimal_basis_sets/no_SOC/ham.m b/...1H-MoS2/1.Minimal_basis_sets/no_SOC/ham.m → ...1H-MoS2/1.Minimal_basis_sets/no_SOC/ham.m
diff --git a/...2/1.Minimal_basis_sets/no_SOC/hopping.dat → ...2/1.Minimal_basis_sets/no_SOC/hopping.dat b/...2/1.Minimal_basis_sets/no_SOC/hopping.dat → ...2/1.Minimal_basis_sets/no_SOC/hopping.dat
diff --git a/...AND_FIT/Step_1.genetic_algorithm/BAND.eps → ...AND_FIT/Step_1.genetic_algorithm/BAND.eps b/...AND_FIT/Step_1.genetic_algorithm/BAND.eps → ...AND_FIT/Step_1.genetic_algorithm/BAND.eps
diff --git a/...FIT/Step_1.genetic_algorithm/DFT_BAND.dat → ...FIT/Step_1.genetic_algorithm/DFT_BAND.dat b/...FIT/Step_1.genetic_algorithm/DFT_BAND.dat → ...FIT/Step_1.genetic_algorithm/DFT_BAND.dat
diff --git a/...AND_FIT/Step_1.genetic_algorithm/INCAR-TB → ...AND_FIT/Step_1.genetic_algorithm/INCAR-TB b/...AND_FIT/Step_1.genetic_algorithm/INCAR-TB → ...AND_FIT/Step_1.genetic_algorithm/INCAR-TB
diff --git a/...FIT/Step_1.genetic_algorithm/KPOINTS_BAND → ...FIT/Step_1.genetic_algorithm/KPOINTS_BAND b/...FIT/Step_1.genetic_algorithm/KPOINTS_BAND → ...FIT/Step_1.genetic_algorithm/KPOINTS_BAND
diff --git a/...IT/Step_1.genetic_algorithm/PARAM_FIT.dat → ...IT/Step_1.genetic_algorithm/PARAM_FIT.dat b/...IT/Step_1.genetic_algorithm/PARAM_FIT.dat → ...IT/Step_1.genetic_algorithm/PARAM_FIT.dat
diff --git a/...tep_1.genetic_algorithm/PARAM_FIT.new.dat → ...tep_1.genetic_algorithm/PARAM_FIT.new.dat b/...tep_1.genetic_algorithm/PARAM_FIT.new.dat → ...tep_1.genetic_algorithm/PARAM_FIT.new.dat
diff --git a/...ND_FIT/Step_1.genetic_algorithm/POSCAR-TB → ...ND_FIT/Step_1.genetic_algorithm/POSCAR-TB b/...ND_FIT/Step_1.genetic_algorithm/POSCAR-TB → ...ND_FIT/Step_1.genetic_algorithm/POSCAR-TB
diff --git a/....genetic_algorithm/band_structure_DFT.dat → ....genetic_algorithm/band_structure_DFT.dat b/....genetic_algorithm/band_structure_DFT.dat → ....genetic_algorithm/band_structure_DFT.dat
diff --git a/....genetic_algorithm/band_structure_TBA.dat → ....genetic_algorithm/band_structure_TBA.dat b/....genetic_algorithm/band_structure_TBA.dat → ....genetic_algorithm/band_structure_TBA.dat
diff --git a/...IT/Step_1.genetic_algorithm/gnuBAND-TB.gp → ...IT/Step_1.genetic_algorithm/gnuBAND-TB.gp b/...IT/Step_1.genetic_algorithm/gnuBAND-TB.gp → ...IT/Step_1.genetic_algorithm/gnuBAND-TB.gp
diff --git a/..._FIT/Step_1.genetic_algorithm/hopping.dat → ..._FIT/Step_1.genetic_algorithm/hopping.dat b/..._FIT/Step_1.genetic_algorithm/hopping.dat → ..._FIT/Step_1.genetic_algorithm/hopping.dat
diff --git a/...d/ATTEMPT_1.1st_nearest_neighbor/BAND.eps → ...d/ATTEMPT_1.1st_nearest_neighbor/BAND.eps b/...d/ATTEMPT_1.1st_nearest_neighbor/BAND.eps → ...d/ATTEMPT_1.1st_nearest_neighbor/BAND.eps
diff --git a/...TEMPT_1.1st_nearest_neighbor/DFT_BAND.dat → ...TEMPT_1.1st_nearest_neighbor/DFT_BAND.dat b/...TEMPT_1.1st_nearest_neighbor/DFT_BAND.dat → ...TEMPT_1.1st_nearest_neighbor/DFT_BAND.dat
diff --git a/...d/ATTEMPT_1.1st_nearest_neighbor/INCAR-TB → ...d/ATTEMPT_1.1st_nearest_neighbor/INCAR-TB b/...d/ATTEMPT_1.1st_nearest_neighbor/INCAR-TB → ...d/ATTEMPT_1.1st_nearest_neighbor/INCAR-TB
diff --git a/...TEMPT_1.1st_nearest_neighbor/KPOINTS_BAND → ...TEMPT_1.1st_nearest_neighbor/KPOINTS_BAND b/...TEMPT_1.1st_nearest_neighbor/KPOINTS_BAND → ...TEMPT_1.1st_nearest_neighbor/KPOINTS_BAND
diff --git a/...EMPT_1.1st_nearest_neighbor/PARAM_FIT.dat → ...EMPT_1.1st_nearest_neighbor/PARAM_FIT.dat b/...EMPT_1.1st_nearest_neighbor/PARAM_FIT.dat → ...EMPT_1.1st_nearest_neighbor/PARAM_FIT.dat
diff --git a/...bor/PARAM_FIT.dat_from_STEP1_genetic_algo → ...bor/PARAM_FIT.dat_from_STEP1_genetic_algo b/...bor/PARAM_FIT.dat_from_STEP1_genetic_algo → ...bor/PARAM_FIT.dat_from_STEP1_genetic_algo
diff --git a/..._1.1st_nearest_neighbor/PARAM_FIT.new.dat → ..._1.1st_nearest_neighbor/PARAM_FIT.new.dat b/..._1.1st_nearest_neighbor/PARAM_FIT.new.dat → ..._1.1st_nearest_neighbor/PARAM_FIT.new.dat
diff --git a/...t_nearest_neighbor/PARAM_FIT.new.dat_temp → ...t_nearest_neighbor/PARAM_FIT.new.dat_temp b/...t_nearest_neighbor/PARAM_FIT.new.dat_temp → ...t_nearest_neighbor/PARAM_FIT.new.dat_temp
diff --git a/.../ATTEMPT_1.1st_nearest_neighbor/POSCAR-TB → .../ATTEMPT_1.1st_nearest_neighbor/POSCAR-TB b/.../ATTEMPT_1.1st_nearest_neighbor/POSCAR-TB → .../ATTEMPT_1.1st_nearest_neighbor/POSCAR-TB
diff --git a/...t_nearest_neighbor/band_structure_DFT.dat → ...t_nearest_neighbor/band_structure_DFT.dat b/...t_nearest_neighbor/band_structure_DFT.dat → ...t_nearest_neighbor/band_structure_DFT.dat
diff --git a/...t_nearest_neighbor/band_structure_TBA.dat → ...t_nearest_neighbor/band_structure_TBA.dat b/...t_nearest_neighbor/band_structure_TBA.dat → ...t_nearest_neighbor/band_structure_TBA.dat
diff --git a/...EMPT_1.1st_nearest_neighbor/gnuBAND-TB.gp → ...EMPT_1.1st_nearest_neighbor/gnuBAND-TB.gp b/...EMPT_1.1st_nearest_neighbor/gnuBAND-TB.gp → ...EMPT_1.1st_nearest_neighbor/gnuBAND-TB.gp
diff --git a/...TTEMPT_1.1st_nearest_neighbor/hopping.dat → ...TTEMPT_1.1st_nearest_neighbor/hopping.dat b/...TTEMPT_1.1st_nearest_neighbor/hopping.dat → ...TTEMPT_1.1st_nearest_neighbor/hopping.dat
diff --git a/...d/ATTEMPT_2.2nd_nearest_neighbor/BAND.eps → ...d/ATTEMPT_2.2nd_nearest_neighbor/BAND.eps b/...d/ATTEMPT_2.2nd_nearest_neighbor/BAND.eps → ...d/ATTEMPT_2.2nd_nearest_neighbor/BAND.eps
diff --git a/...TEMPT_2.2nd_nearest_neighbor/DFT_BAND.dat → ...TEMPT_2.2nd_nearest_neighbor/DFT_BAND.dat b/...TEMPT_2.2nd_nearest_neighbor/DFT_BAND.dat → ...TEMPT_2.2nd_nearest_neighbor/DFT_BAND.dat
diff --git a/...d/ATTEMPT_2.2nd_nearest_neighbor/INCAR-TB → ...d/ATTEMPT_2.2nd_nearest_neighbor/INCAR-TB b/...d/ATTEMPT_2.2nd_nearest_neighbor/INCAR-TB → ...d/ATTEMPT_2.2nd_nearest_neighbor/INCAR-TB
diff --git a/...TEMPT_2.2nd_nearest_neighbor/KPOINTS_BAND → ...TEMPT_2.2nd_nearest_neighbor/KPOINTS_BAND b/...TEMPT_2.2nd_nearest_neighbor/KPOINTS_BAND → ...TEMPT_2.2nd_nearest_neighbor/KPOINTS_BAND
diff --git a/...EMPT_2.2nd_nearest_neighbor/PARAM_FIT.dat → ...EMPT_2.2nd_nearest_neighbor/PARAM_FIT.dat b/...EMPT_2.2nd_nearest_neighbor/PARAM_FIT.dat → ...EMPT_2.2nd_nearest_neighbor/PARAM_FIT.dat
diff --git a/..._neighbor/PARAM_FIT.dat_from_ATTEMPT1_1nn → ..._neighbor/PARAM_FIT.dat_from_ATTEMPT1_1nn b/..._neighbor/PARAM_FIT.dat_from_ATTEMPT1_1nn → ..._neighbor/PARAM_FIT.dat_from_ATTEMPT1_1nn
diff --git a/..._2.2nd_nearest_neighbor/PARAM_FIT.new.dat → ..._2.2nd_nearest_neighbor/PARAM_FIT.new.dat b/..._2.2nd_nearest_neighbor/PARAM_FIT.new.dat → ..._2.2nd_nearest_neighbor/PARAM_FIT.new.dat
diff --git a/...d_nearest_neighbor/PARAM_FIT.new.dat_temp → ...d_nearest_neighbor/PARAM_FIT.new.dat_temp b/...d_nearest_neighbor/PARAM_FIT.new.dat_temp → ...d_nearest_neighbor/PARAM_FIT.new.dat_temp
diff --git a/.../ATTEMPT_2.2nd_nearest_neighbor/POSCAR-TB → .../ATTEMPT_2.2nd_nearest_neighbor/POSCAR-TB b/.../ATTEMPT_2.2nd_nearest_neighbor/POSCAR-TB → .../ATTEMPT_2.2nd_nearest_neighbor/POSCAR-TB
diff --git a/...d_nearest_neighbor/band_structure_DFT.dat → ...d_nearest_neighbor/band_structure_DFT.dat b/...d_nearest_neighbor/band_structure_DFT.dat → ...d_nearest_neighbor/band_structure_DFT.dat
diff --git a/...d_nearest_neighbor/band_structure_TBA.dat → ...d_nearest_neighbor/band_structure_TBA.dat b/...d_nearest_neighbor/band_structure_TBA.dat → ...d_nearest_neighbor/band_structure_TBA.dat
diff --git a/...EMPT_2.2nd_nearest_neighbor/gnuBAND-TB.gp → ...EMPT_2.2nd_nearest_neighbor/gnuBAND-TB.gp b/...EMPT_2.2nd_nearest_neighbor/gnuBAND-TB.gp → ...EMPT_2.2nd_nearest_neighbor/gnuBAND-TB.gp
diff --git a/...TTEMPT_2.2nd_nearest_neighbor/hopping.dat → ...TTEMPT_2.2nd_nearest_neighbor/hopping.dat b/...TTEMPT_2.2nd_nearest_neighbor/hopping.dat → ...TTEMPT_2.2nd_nearest_neighbor/hopping.dat
diff --git a/...d/ATTEMPT_3.3rd_nearest_neighbor/BAND.eps → ...d/ATTEMPT_3.3rd_nearest_neighbor/BAND.eps b/...d/ATTEMPT_3.3rd_nearest_neighbor/BAND.eps → ...d/ATTEMPT_3.3rd_nearest_neighbor/BAND.eps
diff --git a/...TEMPT_3.3rd_nearest_neighbor/DFT_BAND.dat → ...TEMPT_3.3rd_nearest_neighbor/DFT_BAND.dat b/...TEMPT_3.3rd_nearest_neighbor/DFT_BAND.dat → ...TEMPT_3.3rd_nearest_neighbor/DFT_BAND.dat
diff --git a/...d/ATTEMPT_3.3rd_nearest_neighbor/INCAR-TB → ...d/ATTEMPT_3.3rd_nearest_neighbor/INCAR-TB b/...d/ATTEMPT_3.3rd_nearest_neighbor/INCAR-TB → ...d/ATTEMPT_3.3rd_nearest_neighbor/INCAR-TB
diff --git a/...TEMPT_3.3rd_nearest_neighbor/KPOINTS_BAND → ...TEMPT_3.3rd_nearest_neighbor/KPOINTS_BAND b/...TEMPT_3.3rd_nearest_neighbor/KPOINTS_BAND → ...TEMPT_3.3rd_nearest_neighbor/KPOINTS_BAND
diff --git a/...EMPT_3.3rd_nearest_neighbor/PARAM_FIT.dat → ...EMPT_3.3rd_nearest_neighbor/PARAM_FIT.dat b/...EMPT_3.3rd_nearest_neighbor/PARAM_FIT.dat → ...EMPT_3.3rd_nearest_neighbor/PARAM_FIT.dat
diff --git a/..._neighbor/PARAM_FIT.dat_from_ATTEMPT2_2nn → ..._neighbor/PARAM_FIT.dat_from_ATTEMPT2_2nn b/..._neighbor/PARAM_FIT.dat_from_ATTEMPT2_2nn → ..._neighbor/PARAM_FIT.dat_from_ATTEMPT2_2nn
diff --git a/..._3.3rd_nearest_neighbor/PARAM_FIT.new.dat → ..._3.3rd_nearest_neighbor/PARAM_FIT.new.dat b/..._3.3rd_nearest_neighbor/PARAM_FIT.new.dat → ..._3.3rd_nearest_neighbor/PARAM_FIT.new.dat
diff --git a/...d_nearest_neighbor/PARAM_FIT.new.dat_temp → ...d_nearest_neighbor/PARAM_FIT.new.dat_temp b/...d_nearest_neighbor/PARAM_FIT.new.dat_temp → ...d_nearest_neighbor/PARAM_FIT.new.dat_temp
diff --git a/.../ATTEMPT_3.3rd_nearest_neighbor/POSCAR-TB → .../ATTEMPT_3.3rd_nearest_neighbor/POSCAR-TB b/.../ATTEMPT_3.3rd_nearest_neighbor/POSCAR-TB → .../ATTEMPT_3.3rd_nearest_neighbor/POSCAR-TB
diff --git a/...d_nearest_neighbor/band_structure_DFT.dat → ...d_nearest_neighbor/band_structure_DFT.dat b/...d_nearest_neighbor/band_structure_DFT.dat → ...d_nearest_neighbor/band_structure_DFT.dat
diff --git a/...d_nearest_neighbor/band_structure_TBA.dat → ...d_nearest_neighbor/band_structure_TBA.dat b/...d_nearest_neighbor/band_structure_TBA.dat → ...d_nearest_neighbor/band_structure_TBA.dat
diff --git a/...EMPT_3.3rd_nearest_neighbor/gnuBAND-TB.gp → ...EMPT_3.3rd_nearest_neighbor/gnuBAND-TB.gp b/...EMPT_3.3rd_nearest_neighbor/gnuBAND-TB.gp → ...EMPT_3.3rd_nearest_neighbor/gnuBAND-TB.gp
diff --git a/...TTEMPT_3.3rd_nearest_neighbor/hopping.dat → ...TTEMPT_3.3rd_nearest_neighbor/hopping.dat b/...TTEMPT_3.3rd_nearest_neighbor/hopping.dat → ...TTEMPT_3.3rd_nearest_neighbor/hopping.dat
diff --git a/...o_method/1.PSO/1.NPARTICLE_50/BAND-TB.eps → ...o_method/1.PSO/1.NPARTICLE_50/BAND-TB.eps b/...o_method/1.PSO/1.NPARTICLE_50/BAND-TB.eps → ...o_method/1.PSO/1.NPARTICLE_50/BAND-TB.eps
diff --git a/..._method/1.PSO/1.NPARTICLE_50/DFT_BAND.dat → ..._method/1.PSO/1.NPARTICLE_50/DFT_BAND.dat b/..._method/1.PSO/1.NPARTICLE_50/DFT_BAND.dat → ..._method/1.PSO/1.NPARTICLE_50/DFT_BAND.dat
diff --git a/....pso_method/1.PSO/1.NPARTICLE_50/INCAR-TB → ....pso_method/1.PSO/1.NPARTICLE_50/INCAR-TB b/....pso_method/1.PSO/1.NPARTICLE_50/INCAR-TB → ....pso_method/1.PSO/1.NPARTICLE_50/INCAR-TB
diff --git a/..._method/1.PSO/1.NPARTICLE_50/KPOINTS_BAND → ..._method/1.PSO/1.NPARTICLE_50/KPOINTS_BAND b/..._method/1.PSO/1.NPARTICLE_50/KPOINTS_BAND → ..._method/1.PSO/1.NPARTICLE_50/KPOINTS_BAND
diff --git a/...method/1.PSO/1.NPARTICLE_50/PARAM_FIT.dat → ...method/1.PSO/1.NPARTICLE_50/PARAM_FIT.dat b/...method/1.PSO/1.NPARTICLE_50/PARAM_FIT.dat → ...method/1.PSO/1.NPARTICLE_50/PARAM_FIT.dat
diff --git a/...od/1.PSO/1.NPARTICLE_50/PARAM_FIT.new.dat → ...od/1.PSO/1.NPARTICLE_50/PARAM_FIT.new.dat b/...od/1.PSO/1.NPARTICLE_50/PARAM_FIT.new.dat → ...od/1.PSO/1.NPARTICLE_50/PARAM_FIT.new.dat
diff --git a/...pso_method/1.PSO/1.NPARTICLE_50/POSCAR-TB → ...pso_method/1.PSO/1.NPARTICLE_50/POSCAR-TB b/...pso_method/1.PSO/1.NPARTICLE_50/POSCAR-TB → ...pso_method/1.PSO/1.NPARTICLE_50/POSCAR-TB
diff --git a/...PSO/1.NPARTICLE_50/band_structure_DFT.dat → ...PSO/1.NPARTICLE_50/band_structure_DFT.dat b/...PSO/1.NPARTICLE_50/band_structure_DFT.dat → ...PSO/1.NPARTICLE_50/band_structure_DFT.dat
diff --git a/...PSO/1.NPARTICLE_50/band_structure_TBA.dat → ...PSO/1.NPARTICLE_50/band_structure_TBA.dat b/...PSO/1.NPARTICLE_50/band_structure_TBA.dat → ...PSO/1.NPARTICLE_50/band_structure_TBA.dat
diff --git a/...ethod/1.PSO/1.NPARTICLE_50/gnuBAND-TB.gpi → ...ethod/1.PSO/1.NPARTICLE_50/gnuBAND-TB.gpi b/...ethod/1.PSO/1.NPARTICLE_50/gnuBAND-TB.gpi → ...ethod/1.PSO/1.NPARTICLE_50/gnuBAND-TB.gpi
diff --git a/...thod/1.PSO/1.NPARTICLE_50/gnuCOST-FIT.gpi → ...thod/1.PSO/1.NPARTICLE_50/gnuCOST-FIT.gpi b/...thod/1.PSO/1.NPARTICLE_50/gnuCOST-FIT.gpi → ...thod/1.PSO/1.NPARTICLE_50/gnuCOST-FIT.gpi
diff --git a/...o_method/1.PSO/1.NPARTICLE_50/hopping.dat → ...o_method/1.PSO/1.NPARTICLE_50/hopping.dat b/...o_method/1.PSO/1.NPARTICLE_50/hopping.dat → ...o_method/1.PSO/1.NPARTICLE_50/hopping.dat
diff --git a/...3.pso_method/1.PSO/1.NPARTICLE_50/pytbfit → ...3.pso_method/1.PSO/1.NPARTICLE_50/pytbfit b/...3.pso_method/1.PSO/1.NPARTICLE_50/pytbfit → ...3.pso_method/1.PSO/1.NPARTICLE_50/pytbfit
diff --git a/...ple/Graphene/BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/BAND.lmdif.pdf b/...ple/Graphene/BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/BAND.lmdif.pdf
diff --git a/...raphene/BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/BAND.mypso.P100.pdf b/...raphene/BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/BAND.mypso.P100.pdf
diff --git a/...Graphene/BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/BAND.mypso.P50.pdf b/...Graphene/BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/BAND.mypso.P50.pdf
diff --git a/...hene/BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/COST_HISTORY.lmdif.dat b/...hene/BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/COST_HISTORY.lmdif.dat
@@ -0,0 +1,27 @@
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diff --git a/...hene/BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/COST_HISTORY.lmdif.pdf b/...hene/BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/COST_HISTORY.lmdif.pdf
diff --git a/...BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/COST_HISTORY.mypso.P100.dat b/...BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/COST_HISTORY.mypso.P100.dat
@@ -0,0 +1,30 @@
+ 0    4440.566979223 
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+ 28    4169.578376646 
+ 29    4169.418804936 
diff --git a/...BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/COST_HISTORY.mypso.P100.pdf b/...BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/COST_HISTORY.mypso.P100.pdf
diff --git a/.../BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/COST_HISTORY.mypso.P50.dat b/.../BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/COST_HISTORY.mypso.P50.dat
@@ -0,0 +1,30 @@
+ 0    5112.347030505 
+ 1    5060.392478546 
+ 2    3760.773297184 
+ 3    3462.961478763 
+ 4    3414.525471346 
+ 5    3405.310178345 
+ 6    3403.486351664 
+ 7    3403.122358416 
+ 8    3403.049590672 
+ 9    3315.593021345 
+ 10    3295.548976972 
+ 11    3285.425868007 
+ 12    3259.056951370 
+ 13    3252.038855559 
+ 14    3245.150888877 
+ 15    3243.444482346 
+ 16    3243.117103482 
+ 17    3236.169709188 
+ 18    3226.270710428 
+ 19    3222.010009202 
+ 20    3221.159204106 
+ 21    3220.989096588 
+ 22    3220.955077225 
+ 23    3220.948273439 
+ 24    3220.946912685 
+ 25    3220.946640534 
+ 26    3220.946586104 
+ 27    3220.869557858 
+ 28    3220.578054849 
+ 29    3220.519778967 
diff --git a/.../BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/COST_HISTORY.mypso.P50.pdf b/.../BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/COST_HISTORY.mypso.P50.pdf
diff --git a/...method/1.PSO/2.NPARTICLE_200/DFT_BAND.dat → ...1.NPARTICLE_50/python_module/DFT_BAND.dat b/...method/1.PSO/2.NPARTICLE_200/DFT_BAND.dat → ...1.NPARTICLE_50/python_module/DFT_BAND.dat
diff --git a/Example/Graphene/BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/INCAR-TB b/Example/Graphene/BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/INCAR-TB
@@ -0,0 +1,41 @@
+# Non-linear least squares minimiation method and its input variables
+# TITLE  G
+  TBFIT  T     #
+ LSTYPE  PSO   # Particle swarm optimization
+  MITER  100   # maximum number of iteration for the fitting procedures
+ PSO_NP  50    # number of particles (parameters) used in PSO
+PSO_OPT  0.3 0.4 0.2 # c1, c2, w defines cognitive, social, and inertia factor in PSO velocity update
+   PTOL  1E-7       # convergence criteria for SK parameters to be fitted
+   FTOL  1E-7       # convergence criteria for band structure for each fitting iterations
+
+  EFILE  DFT_BAND.dat                # target band structure to be fitted to (EDFT). Must be provided if TBFIT=.TRUE. 
+  GFILE  POSCAR-TB  # name of GEOMETRY & TB-parameter files. default: POSCAR-TB
+  KFILE  KPOINTS_BAND  # default: KPOINTS_BAND
+  PFILE  PARAM_FIT.dat  # initial sk-parameter will be read from this file
+ POFILE  PARAM_FIT.new.dat  # fitted sk-parameter will be written here
+PRTDIFF  .TRUE.
+
+ LOCCHG  .TRUE.     # set local charge neutrality. if collinear or NM: m_tot
+ TYPMAG  noncoll    # set type of magnetic moment: nonmagnetic, collinear, noncollinear
+  LSORB  .TRUE.     # set spin orbit interaction with 1st-order perturbation theory
+#LORBIT  .TRUE. rh dat #orbital decomposed output (write absolute value of wavefunction coefficient to band_structure file)
+# LTOTEN .TRUE.
+#NELECT   4
+# set weight and constraint for fitting : valid only if TBFIT .TRUE. 
+    SET  WEIGHT  # possible index: ALL, NKP=nkpoint, NEIG, IBAND, FBAND
+         KRANGE   :         TBABND 1:16     DFTBND 1:16             WEIGHT 10
+         KRANGE   :         TBABND  1:10    DFTBND 1:10             WEIGHT 50
+         KRANGE   :         TBABND  7:10    DFTBND 7:10             WEIGHT 90
+#        KRANGE  K-10:K+10  TBABND  1:10    DFTBND 1:10             WEIGHT 100
+#        KRANGE  K-10:K+10  TBABND  7:10    DFTBND 7:10             WEIGHT 200
+       # KRANGE    :        TBABND  1:2     DFTBND 1:2              WEIGHT 500
+    END  WEIGHT  # PRINT_ONLY  # following PRINT_ONLY tag make program to write target data and stops
+
+    SET  CONSTRAINT TBPARAM
+         e_px_C = e_pz_C    # e_px_C is same as e_pz_C # currently it applies only to the onsite parameters
+         e_py_C = e_pz_C    # e_py_C is same as e_pz_C
+    END  CONSTRAINT TBPARAM
+
+    SET  NN_CLASS  # if R0 is not provided (sigle value is provided), R0=NN-dist and Max R0 will be R0*1.1
+         C-C   : 1.5    R0 1.4145  # cutoff dist for 1st nearest neighbor between C-C bond (Rcut=1.5, R0= 1.4145)
+    END  NN_CLASS
diff --git a/...method/1.PSO/2.NPARTICLE_200/KPOINTS_BAND → ...1.NPARTICLE_50/python_module/KPOINTS_BAND b/...method/1.PSO/2.NPARTICLE_200/KPOINTS_BAND → ...1.NPARTICLE_50/python_module/KPOINTS_BAND
diff --git a/...ethod/1.PSO/2.NPARTICLE_200/PARAM_FIT.dat → ....NPARTICLE_50/python_module/PARAM_FIT.dat b/...ethod/1.PSO/2.NPARTICLE_200/PARAM_FIT.dat → ....NPARTICLE_50/python_module/PARAM_FIT.dat
diff --git a/.../Graphene/BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/PARAM_FIT.new.dat b/.../Graphene/BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/PARAM_FIT.new.dat
@@ -0,0 +1,32 @@
+
+# PARAM_FIT.new.dat  
+# E_TARGET FILE NAME : DFT_BAND.dat  
+# KRANGE :  TBABND 1:16  DFTBND 1:16  WEIGHT         10  
+# KRANGE :  TBABND 1:10  DFTBND 1:10  WEIGHT         50  
+# KRANGE :  TBABND 7:10  DFTBND 7:10  WEIGHT         90  
+       PRINT_INDEX      .FALSE.  
+       USE_OVERLAP      .FALSE.  
+             IS_SK       .TRUE.  
+     SK_SCALE_MODE            1  
+
+                 e_s_C           -0.99551807  
+                e_px_C           -0.43507366  
+                e_py_C           -0.43507366  
+                e_pz_C           -0.43507366  
+              sss_1_CC           -4.22211347  
+              sps_1_CC            4.91182192  
+              pps_1_CC            3.72727549  
+              ppp_1_CC           -2.22174363  
+              sss_2_CC            0.22000000       Fixed  
+              sps_2_CC            1.22000000       Fixed  
+              pps_2_CC            0.00000000       Fixed  
+              ppp_2_CC            0.00000000       Fixed  
+            o_sss_1_CC            0.10000000       Fixed  
+            o_sps_1_CC            0.10000000       Fixed  
+            o_pps_1_CC            0.10000000       Fixed  
+            o_ppp_1_CC            0.10000000       Fixed  
+            o_sss_2_CC            0.10000000       Fixed  
+            o_sps_2_CC            0.10000000       Fixed  
+            o_pps_2_CC            0.10000000       Fixed  
+            o_ppp_2_CC            0.10000000       Fixed  
+          stoner_I_p_C            2.13131125  
diff --git a/...hene/BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/PARAM_FIT.new.dat_temp b/...hene/BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/PARAM_FIT.new.dat_temp
@@ -0,0 +1,29 @@
+
+# PARAM_FIT.new.dat_temp  
+# E_TARGET FILE NAME : DFT_BAND.dat  
+       PRINT_INDEX      .FALSE.  
+       USE_OVERLAP      .FALSE.  
+             IS_SK       .TRUE.  
+     SK_SCALE_MODE            1  
+
+                 e_s_C           -3.65397318  
+                e_px_C            0.26838760  
+                e_py_C            0.26838760  
+                e_pz_C            0.26838760  
+              sss_1_CC            5.22624889  
+              sps_1_CC            4.96808543  
+              pps_1_CC           -1.78857161  
+              ppp_1_CC            3.44085865  
+              sss_2_CC            0.22000000       Fixed  
+              sps_2_CC            1.22000000       Fixed  
+              pps_2_CC            0.00000000       Fixed  
+              ppp_2_CC            0.00000000       Fixed  
+            o_sss_1_CC            0.10000000       Fixed  
+            o_sps_1_CC            0.10000000       Fixed  
+            o_pps_1_CC            0.10000000       Fixed  
+            o_ppp_1_CC            0.10000000       Fixed  
+            o_sss_2_CC            0.10000000       Fixed  
+            o_sps_2_CC            0.10000000       Fixed  
+            o_pps_2_CC            0.10000000       Fixed  
+            o_ppp_2_CC            0.10000000       Fixed  
+          stoner_I_p_C            0.00000000  
diff --git a/...ene/BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/PARAM_FIT.new.lmdif.dat b/...ene/BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/PARAM_FIT.new.lmdif.dat
@@ -0,0 +1,28 @@
+# PARAM_FIT.new.lmdif.dat
+# FITTED PARAMETERS FROM TBFITPY_MOD
+       PRINT_INDEX      .FALSE.
+       USE_OVERLAP      .FALSE.
+             IS_SK       .TRUE.
+     SK_SCALE_MODE            1
+
+                 e_s_C           -3.65397318
+                e_px_C            0.26838760
+                e_py_C            0.26838760
+                e_pz_C            0.26838760
+              sss_1_CC            5.22624889
+              sps_1_CC            4.96808543
+              pps_1_CC           -1.78857161
+              ppp_1_CC            3.44085865
+              sss_2_CC            0.22000000       Fixed
+              sps_2_CC            1.22000000       Fixed
+              pps_2_CC            0.00000000       Fixed
+              ppp_2_CC            0.00000000       Fixed
+            o_sss_1_CC            0.10000000       Fixed
+            o_sps_1_CC            0.10000000       Fixed
+            o_pps_1_CC            0.10000000       Fixed
+            o_ppp_1_CC            0.10000000       Fixed
+            o_sss_2_CC            0.10000000       Fixed
+            o_sps_2_CC            0.10000000       Fixed
+            o_pps_2_CC            0.10000000       Fixed
+            o_ppp_2_CC            0.10000000       Fixed
+          stoner_I_p_C            0.00000000
diff --git a/...AND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/PARAM_FIT.new.mypso.P100.dat b/...AND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/PARAM_FIT.new.mypso.P100.dat
@@ -0,0 +1,28 @@
+# PARAM_FIT.new.mypso.P100.dat
+# FITTED PARAMETERS FROM TBFITPY_MOD
+       PRINT_INDEX      .FALSE.
+       USE_OVERLAP      .FALSE.
+             IS_SK       .TRUE.
+     SK_SCALE_MODE            1
+
+                 e_s_C            0.04251197
+                e_px_C            0.01695832
+                e_py_C            0.01695832
+                e_pz_C            0.01695832
+              sss_1_CC            2.93674026
+              sps_1_CC            5.10140264
+              pps_1_CC           -1.84781121
+              ppp_1_CC            4.30655213
+              sss_2_CC            0.22000000       Fixed
+              sps_2_CC            1.22000000       Fixed
+              pps_2_CC            0.00000000       Fixed
+              ppp_2_CC            0.00000000       Fixed
+            o_sss_1_CC            0.10000000       Fixed
+            o_sps_1_CC            0.10000000       Fixed
+            o_pps_1_CC            0.10000000       Fixed
+            o_ppp_1_CC            0.10000000       Fixed
+            o_sss_2_CC            0.10000000       Fixed
+            o_sps_2_CC            0.10000000       Fixed
+            o_pps_2_CC            0.10000000       Fixed
+            o_ppp_2_CC            0.10000000       Fixed
+          stoner_I_p_C            2.15735541
diff --git a/...BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/PARAM_FIT.new.mypso.P50.dat b/...BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/PARAM_FIT.new.mypso.P50.dat
@@ -0,0 +1,28 @@
+# PARAM_FIT.new.mypso.P50.dat
+# FITTED PARAMETERS FROM TBFITPY_MOD
+       PRINT_INDEX      .FALSE.
+       USE_OVERLAP      .FALSE.
+             IS_SK       .TRUE.
+     SK_SCALE_MODE            1
+
+                 e_s_C           -0.99471103
+                e_px_C           -0.46013074
+                e_py_C           -0.46013074
+                e_pz_C           -0.46013074
+              sss_1_CC           -4.22402253
+              sps_1_CC            4.91356695
+              pps_1_CC            3.72842339
+              ppp_1_CC           -2.24404349
+              sss_2_CC            0.22000000       Fixed
+              sps_2_CC            1.22000000       Fixed
+              pps_2_CC            0.00000000       Fixed
+              ppp_2_CC            0.00000000       Fixed
+            o_sss_1_CC            0.10000000       Fixed
+            o_sps_1_CC            0.10000000       Fixed
+            o_pps_1_CC            0.10000000       Fixed
+            o_ppp_1_CC            0.10000000       Fixed
+            o_sss_2_CC            0.10000000       Fixed
+            o_sps_2_CC            0.10000000       Fixed
+            o_pps_2_CC            0.10000000       Fixed
+            o_ppp_2_CC            0.10000000       Fixed
+          stoner_I_p_C            2.12744832
diff --git a/...so_method/1.PSO/2.NPARTICLE_200/POSCAR-TB → ...SO/1.NPARTICLE_50/python_module/POSCAR-TB b/...so_method/1.PSO/2.NPARTICLE_200/POSCAR-TB → ...SO/1.NPARTICLE_50/python_module/POSCAR-TB
diff --git a/Example/Graphene/BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/fort.17 b/Example/Graphene/BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/fort.17
@@ -0,0 +1,63 @@
+
+   ITER=       1, rt(sum((dE*WT)^2)) =     14092.572887, rt(sum(dE^2)) =       324.675387
+
+   ITER=       2, rt(sum((dE*WT)^2)) =     14092.119506, rt(sum(dE^2)) =       324.666241
+
+   ITER=       3, rt(sum((dE*WT)^2)) =     14091.247384, rt(sum(dE^2)) =       324.649325
+
+   ITER=       4, rt(sum((dE*WT)^2)) =     14089.555676, rt(sum(dE^2)) =       324.616266
+
+   ITER=       5, rt(sum((dE*WT)^2)) =     14086.785849, rt(sum(dE^2)) =       324.557723
+
+   ITER=       6, rt(sum((dE*WT)^2)) =     14081.247690, rt(sum(dE^2)) =       324.437398
+
+   ITER=       7, rt(sum((dE*WT)^2)) =     14070.067012, rt(sum(dE^2)) =       324.198417
+
+   ITER=       8, rt(sum((dE*WT)^2)) =     14047.842911, rt(sum(dE^2)) =       323.722558
+
+   ITER=       9, rt(sum((dE*WT)^2)) =     14003.819401, rt(sum(dE^2)) =       322.777316
+
+   ITER=      10, rt(sum((dE*WT)^2)) =     13916.654931, rt(sum(dE^2)) =       320.869346
+
+   ITER=      11, rt(sum((dE*WT)^2)) =     13742.958099, rt(sum(dE^2)) =       317.134397
+
+   ITER=      12, rt(sum((dE*WT)^2)) =     13407.921797, rt(sum(dE^2)) =       309.939031
+
+   ITER=      13, rt(sum((dE*WT)^2)) =     12784.232187, rt(sum(dE^2)) =       296.467230
+
+   ITER=      14, rt(sum((dE*WT)^2)) =     11582.409474, rt(sum(dE^2)) =       269.731834
+
+   ITER=      15, rt(sum((dE*WT)^2)) =      9266.874653, rt(sum(dE^2)) =       218.882726
+
+   ITER=      16, rt(sum((dE*WT)^2)) =      5272.430515, rt(sum(dE^2)) =       128.632708
+
+   ITER=      17, rt(sum((dE*WT)^2)) =      2960.603011, rt(sum(dE^2)) =        89.089234
+
+   ITER=      18, rt(sum((dE*WT)^2)) =      2492.758746, rt(sum(dE^2)) =        85.490622
+
+   ITER=      19, rt(sum((dE*WT)^2)) =      2459.210080, rt(sum(dE^2)) =        90.493828
+
+   ITER=      20, rt(sum((dE*WT)^2)) =      2458.621899, rt(sum(dE^2)) =        89.141528
+
+   ITER=      21, rt(sum((dE*WT)^2)) =      2458.534783, rt(sum(dE^2)) =        89.902713
+
+   ITER=      22, rt(sum((dE*WT)^2)) =      2458.514004, rt(sum(dE^2)) =        89.535322
+
+   ITER=      23, rt(sum((dE*WT)^2)) =      2458.508923, rt(sum(dE^2)) =        89.719576
+
+   ITER=      24, rt(sum((dE*WT)^2)) =      2458.507661, rt(sum(dE^2)) =        89.628003
+
+   ITER=      25, rt(sum((dE*WT)^2)) =      2458.507349, rt(sum(dE^2)) =        89.673594
+
+   ITER=      26, rt(sum((dE*WT)^2)) =      2458.507272, rt(sum(dE^2)) =        89.650891
+
+   ITER=      27, rt(sum((dE*WT)^2)) =      2458.507252, rt(sum(dE^2)) =        89.662195
+
+  Termination INFO= 1 , condition: |actred|,prered <= ftol, ratio <= 2 : actred= 0.1560944E-07 prered= 0.3110420E-07 ratio= 0.5018434E+00
+
+           Check constraint: upper and lower bounds
+    #=========================================================
+
+           Check fitness function updates
+    #============================================
+  FDIFF(      0.00100000)<=    100.00000000
diff --git a/...thod/1.PSO/2.NPARTICLE_200/gnuBAND-TB.gpi → ...NPARTICLE_50/python_module/gnuBAND-TB.gpi b/...thod/1.PSO/2.NPARTICLE_200/gnuBAND-TB.gpi → ...NPARTICLE_50/python_module/gnuBAND-TB.gpi
diff --git a/...hod/1.PSO/2.NPARTICLE_200/gnuCOST-FIT.gpi → ...PARTICLE_50/python_module/gnuCOST-FIT.gpi b/...hod/1.PSO/2.NPARTICLE_200/gnuCOST-FIT.gpi → ...PARTICLE_50/python_module/gnuCOST-FIT.gpi
diff --git a/....pso_method/1.PSO/2.NPARTICLE_200/pytbfit → ....PSO/1.NPARTICLE_50/python_module/pytbfit b/....pso_method/1.PSO/2.NPARTICLE_200/pytbfit → ....PSO/1.NPARTICLE_50/python_module/pytbfit
diff --git a/Example/Graphene/BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/report.log b/Example/Graphene/BAND_FIT/Step_3.pso_method/1.PSO/1.NPARTICLE_50/python_module/report.log
diff --git a/..._method/1.PSO/2.NPARTICLE_200/BAND-TB.eps → ..._method/1.PSO/2.NPARTICLE_200/BAND-TB.eps b/..._method/1.PSO/2.NPARTICLE_200/BAND-TB.eps → ..._method/1.PSO/2.NPARTICLE_200/BAND-TB.eps
diff --git a/...ethod/1.PSO/3.NPARTICLE_1000/DFT_BAND.dat → ...method/1.PSO/2.NPARTICLE_200/DFT_BAND.dat b/...ethod/1.PSO/3.NPARTICLE_1000/DFT_BAND.dat → ...method/1.PSO/2.NPARTICLE_200/DFT_BAND.dat
diff --git a/...pso_method/1.PSO/2.NPARTICLE_200/INCAR-TB → ...pso_method/1.PSO/2.NPARTICLE_200/INCAR-TB b/...pso_method/1.PSO/2.NPARTICLE_200/INCAR-TB → ...pso_method/1.PSO/2.NPARTICLE_200/INCAR-TB
diff --git a/...ethod/1.PSO/3.NPARTICLE_1000/KPOINTS_BAND → ...method/1.PSO/2.NPARTICLE_200/KPOINTS_BAND b/...ethod/1.PSO/3.NPARTICLE_1000/KPOINTS_BAND → ...method/1.PSO/2.NPARTICLE_200/KPOINTS_BAND
diff --git a/...thod/1.PSO/3.NPARTICLE_1000/PARAM_FIT.dat → ...ethod/1.PSO/2.NPARTICLE_200/PARAM_FIT.dat b/...thod/1.PSO/3.NPARTICLE_1000/PARAM_FIT.dat → ...ethod/1.PSO/2.NPARTICLE_200/PARAM_FIT.dat
diff --git a/...d/1.PSO/2.NPARTICLE_200/PARAM_FIT.new.dat → ...d/1.PSO/2.NPARTICLE_200/PARAM_FIT.new.dat b/...d/1.PSO/2.NPARTICLE_200/PARAM_FIT.new.dat → ...d/1.PSO/2.NPARTICLE_200/PARAM_FIT.new.dat
diff --git a/...o_method/1.PSO/3.NPARTICLE_1000/POSCAR-TB → ...so_method/1.PSO/2.NPARTICLE_200/POSCAR-TB b/...o_method/1.PSO/3.NPARTICLE_1000/POSCAR-TB → ...so_method/1.PSO/2.NPARTICLE_200/POSCAR-TB
diff --git a/...SO/2.NPARTICLE_200/band_structure_DFT.dat → ...SO/2.NPARTICLE_200/band_structure_DFT.dat b/...SO/2.NPARTICLE_200/band_structure_DFT.dat → ...SO/2.NPARTICLE_200/band_structure_DFT.dat
diff --git a/...SO/2.NPARTICLE_200/band_structure_TBA.dat → ...SO/2.NPARTICLE_200/band_structure_TBA.dat b/...SO/2.NPARTICLE_200/band_structure_TBA.dat → ...SO/2.NPARTICLE_200/band_structure_TBA.dat
diff --git a/...hod/1.PSO/3.NPARTICLE_1000/gnuBAND-TB.gpi → ...thod/1.PSO/2.NPARTICLE_200/gnuBAND-TB.gpi b/...hod/1.PSO/3.NPARTICLE_1000/gnuBAND-TB.gpi → ...thod/1.PSO/2.NPARTICLE_200/gnuBAND-TB.gpi
diff --git a/...od/1.PSO/3.NPARTICLE_1000/gnuCOST-FIT.gpi → ...hod/1.PSO/2.NPARTICLE_200/gnuCOST-FIT.gpi b/...od/1.PSO/3.NPARTICLE_1000/gnuCOST-FIT.gpi → ...hod/1.PSO/2.NPARTICLE_200/gnuCOST-FIT.gpi
diff --git a/..._method/1.PSO/2.NPARTICLE_200/hopping.dat → ..._method/1.PSO/2.NPARTICLE_200/hopping.dat b/..._method/1.PSO/2.NPARTICLE_200/hopping.dat → ..._method/1.PSO/2.NPARTICLE_200/hopping.dat
diff --git a/...pso_method/1.PSO/3.NPARTICLE_1000/pytbfit → ....pso_method/1.PSO/2.NPARTICLE_200/pytbfit b/...pso_method/1.PSO/3.NPARTICLE_1000/pytbfit → ....pso_method/1.PSO/2.NPARTICLE_200/pytbfit
diff --git a/...method/1.PSO/3.NPARTICLE_1000/BAND-TB.eps → ...method/1.PSO/3.NPARTICLE_1000/BAND-TB.eps b/...method/1.PSO/3.NPARTICLE_1000/BAND-TB.eps → ...method/1.PSO/3.NPARTICLE_1000/BAND-TB.eps
diff --git a/...tep_3.pso_method/2.PSO+LMDIF/DFT_BAND.dat → ...ethod/1.PSO/3.NPARTICLE_1000/DFT_BAND.dat b/...tep_3.pso_method/2.PSO+LMDIF/DFT_BAND.dat → ...ethod/1.PSO/3.NPARTICLE_1000/DFT_BAND.dat
diff --git a/...so_method/1.PSO/3.NPARTICLE_1000/INCAR-TB → ...so_method/1.PSO/3.NPARTICLE_1000/INCAR-TB b/...so_method/1.PSO/3.NPARTICLE_1000/INCAR-TB → ...so_method/1.PSO/3.NPARTICLE_1000/INCAR-TB
diff --git a/...tep_3.pso_method/2.PSO+LMDIF/KPOINTS_BAND → ...ethod/1.PSO/3.NPARTICLE_1000/KPOINTS_BAND b/...tep_3.pso_method/2.PSO+LMDIF/KPOINTS_BAND → ...ethod/1.PSO/3.NPARTICLE_1000/KPOINTS_BAND
diff --git a/...ep_3.pso_method/2.PSO+LMDIF/PARAM_FIT.dat → ...thod/1.PSO/3.NPARTICLE_1000/PARAM_FIT.dat b/...ep_3.pso_method/2.PSO+LMDIF/PARAM_FIT.dat → ...thod/1.PSO/3.NPARTICLE_1000/PARAM_FIT.dat
diff --git a/.../1.PSO/3.NPARTICLE_1000/PARAM_FIT.new.dat → .../1.PSO/3.NPARTICLE_1000/PARAM_FIT.new.dat b/.../1.PSO/3.NPARTICLE_1000/PARAM_FIT.new.dat → .../1.PSO/3.NPARTICLE_1000/PARAM_FIT.new.dat
diff --git a/...T/Step_3.pso_method/2.PSO+LMDIF/POSCAR-TB → ...o_method/1.PSO/3.NPARTICLE_1000/POSCAR-TB b/...T/Step_3.pso_method/2.PSO+LMDIF/POSCAR-TB → ...o_method/1.PSO/3.NPARTICLE_1000/POSCAR-TB
diff --git a/...O/3.NPARTICLE_1000/band_structure_DFT.dat → ...O/3.NPARTICLE_1000/band_structure_DFT.dat b/...O/3.NPARTICLE_1000/band_structure_DFT.dat → ...O/3.NPARTICLE_1000/band_structure_DFT.dat
diff --git a/...O/3.NPARTICLE_1000/band_structure_TBA.dat → ...O/3.NPARTICLE_1000/band_structure_TBA.dat b/...O/3.NPARTICLE_1000/band_structure_TBA.dat → ...O/3.NPARTICLE_1000/band_structure_TBA.dat
diff --git a/...p_3.pso_method/2.PSO+LMDIF/gnuBAND-TB.gpi → ...hod/1.PSO/3.NPARTICLE_1000/gnuBAND-TB.gpi b/...p_3.pso_method/2.PSO+LMDIF/gnuBAND-TB.gpi → ...hod/1.PSO/3.NPARTICLE_1000/gnuBAND-TB.gpi
diff --git a/..._3.pso_method/2.PSO+LMDIF/gnuCOST-FIT.gpi → ...od/1.PSO/3.NPARTICLE_1000/gnuCOST-FIT.gpi b/..._3.pso_method/2.PSO+LMDIF/gnuCOST-FIT.gpi → ...od/1.PSO/3.NPARTICLE_1000/gnuCOST-FIT.gpi
diff --git a/...method/1.PSO/3.NPARTICLE_1000/hopping.dat → ...method/1.PSO/3.NPARTICLE_1000/hopping.dat b/...method/1.PSO/3.NPARTICLE_1000/hopping.dat → ...method/1.PSO/3.NPARTICLE_1000/hopping.dat
diff --git a/...FIT/Step_3.pso_method/2.PSO+LMDIF/pytbfit → ...pso_method/1.PSO/3.NPARTICLE_1000/pytbfit b/...FIT/Step_3.pso_method/2.PSO+LMDIF/pytbfit → ...pso_method/1.PSO/3.NPARTICLE_1000/pytbfit
diff --git a/...Step_3.pso_method/2.PSO+LMDIF/BAND-TB.eps → ...Step_3.pso_method/2.PSO+LMDIF/BAND-TB.eps b/...Step_3.pso_method/2.PSO+LMDIF/BAND-TB.eps → ...Step_3.pso_method/2.PSO+LMDIF/BAND-TB.eps