soft:siman:keywords
This is the list of siman keywords used in set for calculation setup
- mul_nbands - the number of bands written by siman is mul_nbands * NBANDS_min, where NBANDS_min is minimal required number of bands
- mul_nbands_small_cell - the same as above but for small cells with st.natom < 9
- cluster_run_command - run command to run on cluster, used to update cluster['vasp_com'] from set
soft/siman/keywords.txt · Last modified: 2025/07/04 18:11 by d.aksenov