Hi,
I am trying on a single Au Atom to plot its CHGCAR, just as an exercise. I see a lot of negative values in the CHGCAR file.
I use the simplistic INCAR with ISPIN=2
what might be happening ...?
thanx in advance,
rajesh
negative valuesin CHGCAR
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rajeshc
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negative valuesin CHGCAR
Last edited by rajeshc on Sat Sep 22, 2007 5:52 am, edited 1 time in total.
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zhichengzhong
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negative valuesin CHGCAR
column one
spinUP+spinDown,
column two
spinUP-spinDown
spinUP+spinDown,
column two
spinUP-spinDown
Last edited by zhichengzhong on Mon Sep 24, 2007 10:16 am, edited 1 time in total.
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rajeshc
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negative valuesin CHGCAR
The first HALF is spinup+spindown
the second HALF is spinup-spindown
and i find negative values in the first half which is what i am not sure about..
Thanx in advance
the second HALF is spinup-spindown
and i find negative values in the first half which is what i am not sure about..
Thanx in advance
Last edited by rajeshc on Mon Sep 24, 2007 3:36 pm, edited 1 time in total.