spin polarized band decomposition charge density calculation
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spin polarized band decomposition charge density calculation
Dear admin and vasp users,
When I am trying to calculate spin polarized band decomposition charge density (LPARD = T, ISPIN = 2), there is only one output. The PARCHG has 10 columns, not like 5 column as in CHGCAR. What do these columns mean and how should I change the code to have it print 2 set of data for both spin components?
When I am trying to calculate spin polarized band decomposition charge density (LPARD = T, ISPIN = 2), there is only one output. The PARCHG has 10 columns, not like 5 column as in CHGCAR. What do these columns mean and how should I change the code to have it print 2 set of data for both spin components?
Last edited by lawlietVASP on Fri Nov 29, 2013 5:36 am, edited 1 time in total.
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Re: spin polarized band decomposition charge density calculation
Hi,
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