do we need to keep WAVECAR/ CHGCAR / CHG files after PBE band computed?
Posted: Mon Sep 05, 2022 1:34 am
hi
As you all know the WAVECAR / CHG and CHGCAR files are of huge size.
Some times due to shortage of space we need to cleanup or remove unnecessary files in computations. I guess for some computations like charge density display calculations, we need to keep CHGCAR files.
my question is how much is it necessary to retain WAVECAR files after PBE band is computed and the band structure file/data is retrieved from OUTCAR file?
can anyone help me on this? and also suggest on retention needs of CHGCAR and CHG files after we retrieved the data after calculations.
Regards
As you all know the WAVECAR / CHG and CHGCAR files are of huge size.
Some times due to shortage of space we need to cleanup or remove unnecessary files in computations. I guess for some computations like charge density display calculations, we need to keep CHGCAR files.
my question is how much is it necessary to retain WAVECAR files after PBE band is computed and the band structure file/data is retrieved from OUTCAR file?
can anyone help me on this? and also suggest on retention needs of CHGCAR and CHG files after we retrieved the data after calculations.
Regards