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
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simmi
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occupation of one-electron states
Last edited by simmi on Sun Jul 10, 2011 7:01 am, edited 1 time in total.
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tlchan
occupation of one-electron states
The occupancy can be specified by the FERWE and FERDO tags. You can refer to the VASP manual for details.
Last edited by tlchan on Tue Jul 19, 2011 6:45 am, edited 1 time in total.
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liurong19884000
occupation of one-electron states
Thank you very much!
Last edited by liurong19884000 on Wed Jul 20, 2011 6:56 pm, edited 1 time in total.