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
about the RWIGS tag when calculating PDOS
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lanjh
about the RWIGS tag when calculating PDOS
Last edited by lanjh on Thu Mar 08, 2007 2:05 am, edited 1 time in total.
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admin
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about the RWIGS tag when calculating PDOS
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
set LORBIT < 10
choose RWIGS to some reasonable value (non-overlapping!) in INCAR
Last edited by admin on Thu Mar 08, 2007 8:30 am, edited 1 time in total.