[xcrysden] (no subject)
Ariadna Blanca Romero
startunam at yahoo.co.uk
Tue Nov 2 19:38:21 CET 2010
I was doing a polarized calculus in CRYSTAL06, and when I wanted to look the
spin density plot (2D) for alpha states I got negative and positive values in
the thermometer map. That confused me, because I know it happen if I do a spin
difference (alpha-beta), isn't it???.
I will be very grateful for your help.
Ariadna B. R
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