My Community

Posted: **Thu Mar 08, 2007 2:05 am**

hi, I have a question about the PDOS calculation. When calculating this can I adopt the RWIGS from POTCAR? because I found some of the example didn't use RWIGS in POTCAR/
Thank you

Posted: **Thu Mar 08, 2007 8:30 am**

you cannot change RWIGS in POTCAR. However, if you want to modify it for a PDOS calculation,
set LORBIT < 10
choose RWIGS to some reasonable value (non-overlapping!) in INCAR

My Community

about the RWIGS tag when calculating PDOS

about the RWIGS tag when calculating PDOS

about the RWIGS tag when calculating PDOS