A small question for VASP gurus:
Is there a simple way to ask VASP to dump the "total" -- i.e., negative valence
electron (assuming for simplicity a non-spin-polarized case) + positive ion -- charge
distribution into CHGCAR? Naturally, such charge density should integrate out to zero
instead of the number of valence electrons as in the "standard" CHGCAR.
THX,
Serge
What about the "total" total-charge density?
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nakhmans
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What about the "total" total-charge density?
Last edited by nakhmans on Tue Dec 04, 2007 9:39 pm, edited 1 time in total.
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admin
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What about the "total" total-charge density?
no, unfortunately there is not.
Last edited by admin on Thu Dec 13, 2007 8:21 am, edited 1 time in total.