[WIP] bandgap from DOSCAR #3

yw-fang · 2019-04-17T01:41:48Z

Aim: print band gap through OUTCAR

yw-fang added the todo to do list label Apr 17, 2019

yw-fang self-assigned this Apr 17, 2019

yw-fang added a commit that referenced this issue Apr 17, 2019

#3, two methods of calculating band gap by using pymatgen

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yw-fang referenced this issue Apr 17, 2019

#2, two methods of calculating band gap by using pymatgen

f30effb

yw-fang referenced this issue Apr 17, 2019

#2, two methods of calculating band gap by using pymatgen

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yw-fang added a commit that referenced this issue Apr 17, 2019

#3, band gap extracting from DOSCAR, to do

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yw-fang added a commit that referenced this issue Apr 17, 2019

#3, chmod +x

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