LVHAR and LVTOT in same run
Posted: Wed Sep 14, 2022 6:27 am
hi
As per my understanding LVHAR and LVTOT are same but without and with exchange-correlation potential. But the output file name LOCPOT is same.
What if i want to have both data with and without EC potential? do i need to run two times ?
or
is there a way the VASP can write both data in single run?
Regards
As per my understanding LVHAR and LVTOT are same but without and with exchange-correlation potential. But the output file name LOCPOT is same.
What if i want to have both data with and without EC potential? do i need to run two times ?
or
is there a way the VASP can write both data in single run?
Regards