siman:dev:kpoints
1. To add new key go to siman/set_functions.py and add to siman_keys dict.
2. siman calculators vasp.py CalculationVasp.make_kpoints_file()
siman/dev/kpoints.txt · Last modified: 2024/12/05 14:01 by admin
1. To add new key go to siman/set_functions.py and add to siman_keys dict.
2. siman calculators vasp.py CalculationVasp.make_kpoints_file()