[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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