Page 1 of 1

occupation of one-electron states

Posted: Sun Jul 10, 2011 7:01 am
by simmi
In calculations for a certain excited state, one needs to place electrons to higher levles.

How to set the occupation of one-electron states in VASP?

occupation of one-electron states

Posted: Tue Jul 19, 2011 6:45 am
by tlchan
The occupancy can be specified by the FERWE and FERDO tags. You can refer to the VASP manual for details.

occupation of one-electron states

Posted: Wed Jul 20, 2011 6:56 pm
by liurong19884000
Thank you very much!