[molpro-user] How to get the cube file
Hui Li
huili.nju at gmail.com
Mon Aug 24 21:42:16 BST 2009
Hi, Molpro users,
I am trying to generate CUBE file of molecular orbitals with number.symmetry
6.5, and I tried to use the command in the manual:
{cube,occ;
orbital,6.5;}
But the jobs failed. Does somebody know the correct format to generate CUBE
files?
Thanks
Hui Li
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