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write_info.f90
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write_info.f90
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#include "alias.inc"
subroutine write_info(WAVEC, PINPT, pid)
use mpi_setup
use mykind
use parameters
use print_io
implicit none
type(incar ) :: PINPT
type(eigen ) :: WAVEC
integer(kind=sp) i
integer(kind=sp) pid
if(PINPT%flag_set_unfold) return
if(pid .eq. 0) then
write(message,'(A,I6)')"# NELECT : ",PINPT%nelect ; write_msg
write(message,'(A,I6)')"# ISPIN : ",PINPT%ispin ; write_msg
if(PINPT%ispinor .eq. 2) then
write(message,'(A,I6,A)')"# ISPINOR : ",PINPT%ispinor," (LSORBIT =.TRUE.)" ; write_msg
else
write(message,'(A,I6,A)')"# ISPINOR : ",PINPT%ispinor," (LSORBIT =.FALSE.)" ; write_msg
endif
write(message,'(A,F11.4)') "# ENCUT (eV) : ",PINPT%encut ; write_msg
write(message,'(A,I6)') "# NKPOINT : ",PINPT%nkpts ; write_msg
! write(message,'(A,I6,A,I4)')"# K-GRID : ",nkx," X",nky ; write_msg
write(message,'(A,I6)') "# NBANDS : ",PINPT%nband ; write_msg
write(message,'(A,3F13.6)') "# LATTVEC A1 : ",(PINPT%a1(i),i=1,3) ; write_msg
write(message,'(A,3F13.6)') "# LATTVEC A2 : ",(PINPT%a2(i),i=1,3) ; write_msg
write(message,'(A,3F13.6)') "# LATTVEC A3 : ",(PINPT%a3(i),i=1,3) ; write_msg
write(message,'(A,3F13.6)') "# RECIVEC B1 : ",(PINPT%b1(i),i=1,3) ; write_msg
write(message,'(A,3F13.6)') "# RECIVEC B2 : ",(PINPT%b2(i),i=1,3) ; write_msg
write(message,'(A,3F13.6)') "# RECIVEC B3 : ",(PINPT%b3(i),i=1,3) ; write_msg
write(message,'(A,I6)') "# NPMAX : ",WAVEC%nplw_max ; write_msg
write(message,'(A,I6)') "# NB1MAX : ",WAVEC%nbmax(1) ; write_msg
write(message,'(A,I6)') "# NB2MAX : ",WAVEC%nbmax(2) ; write_msg
write(message,'(A,I6)') "# NB3MAX : ",WAVEC%nbmax(3) ; write_msg
elseif(pid .gt. 10) then
write(pid,'(A,I6)')"# NELECT : ",PINPT%nelect
write(pid,'(A,I6)')"# ISPIN : ",PINPT%ispin
if(PINPT%ispinor .eq. 2) then
write(pid,'(A,I6,A)')"# ISPINOR : ",PINPT%ispinor," (LSORBIT =.TRUE.)"
else
write(pid,'(A,I6,A)')"# ISPINOR : ",PINPT%ispinor," (LSORBIT =.FALSE.)"
endif
write(pid,'(A,F11.4)') "# ENCUT (eV) : ",PINPT%encut
write(pid,'(A,I6)') "# NKPOINT : ",PINPT%nkpts
! write(pid,'(A,I6,A,I4)')"# K-GRID : ",nkx," X",nky
write(pid,'(A,I6)') "# NBANDS : ",PINPT%nband
write(pid,'(A,3F13.6)') "# LATTVEC A1 : ",(PINPT%a1(i),i=1,3)
write(pid,'(A,3F13.6)') "# LATTVEC A2 : ",(PINPT%a2(i),i=1,3)
write(pid,'(A,3F13.6)') "# LATTVEC A3 : ",(PINPT%a3(i),i=1,3)
write(pid,'(A,3F13.6)') "# RECIVEC B1 : ",(PINPT%b1(i),i=1,3)
write(pid,'(A,3F13.6)') "# RECIVEC B2 : ",(PINPT%b2(i),i=1,3)
write(pid,'(A,3F13.6)') "# RECIVEC B3 : ",(PINPT%b3(i),i=1,3)
write(pid,'(A,I6)') "# NPMAX : ",WAVEC%nplw_max
write(pid,'(A,I6)') "# NB1MAX : ",WAVEC%nbmax(1)
write(pid,'(A,I6)') "# NB2MAX : ",WAVEC%nbmax(2)
write(pid,'(A,I6)') "# NB3MAX : ",WAVEC%nbmax(3)
endif
return
endsubroutine