How to print spin density values (open shell system )
arobendo mondal
aroben... at gmail.com
Wed Jun 17 19:53:29 UTC 2015
Dear all,
How to print the SPIN DENSITY AT THE NUCLEAR POSITIONS ?
I am able to generate the " *SPIN_DENSITY-1.cube " file. but I don't have
any idea how to extract the spin density values from here.
I am using
&E_DENSITY_CUBE
TOTAL_DENSITY
&END E_DENSITY_CUBE
Any suggestion what can be done.
Best wishes
Arobendo
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