hi
If you want to draw the electron density plot (3D ) with Xcrysden for spin up
rename or delete case.clmvaldn?
because xcrysden? subtracts density of? case.clmvaldn from that of?
case.clmvalup (SUB option) or adds densities from case.clmvaldn and
case.clmvalup (ADD option) so for single spin density one of two files
(case.clmvaldn and case.clmvalup)? must be removed or renamed
regards
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