Dear all,
I would like to ask that will NBANDS affect CHGCAR?
I think that if extra unoccupied bands are included in a calculation, the total
charge density of the whole system will not be changed. But I am not sure and expect some explanations from you. Thank you all in advance.
Sincerely,
Murphy
Does NBANDS affect CHGCAR
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murphy
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Does NBANDS affect CHGCAR
Last edited by murphy on Fri Jul 25, 2014 10:09 am, edited 1 time in total.
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Does NBANDS affect CHGCAR
no
Last edited by admin on Tue Jul 29, 2014 8:35 am, edited 1 time in total.