[xcrysden] Wave unctions plot

Yves Limoge yves.limoge at cea.fr
Tue Feb 5 16:37:09 CET 2013


Y. Limoge

		Dear All

I am trying to plot 3D isosurface wave functions obtained from a PWSCF + PP calculation. 
When I launch XcrysDEN however I seem not to have acces to the "Tools/Datagrid" menu which 
should give rise to a plot, if I am right. This "Tools/Datagrid" button remains inert 
(grey), moreover i I try to open the wave function file from pwscf as a pwscf output ile, I 
get an error.

What should I do to plot isosurface wave functions ?

Thank youy for your help.

					Y. Limoge


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