[Wien] Electron density plot
larbi larbi
wienroot at yahoo.fr
Sat Dec 4 17:40:56 CET 2010
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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