[molpro-user] about spin-orbit calculation

Wang Mingwei mingwei at hpsv.pku.edu.cn
Wed Apr 21 09:26:01 BST 2004


Hello,everyone!
I am doing spin-orbit calculation with version 2002.6. But I don't know why I 
always get such error information:

GENERAL BASIS CONTRACTION NOT IMPLEMENTED IN CADPAC GRADIENTS

Please try with segmented basis set
I am looking forward to your suggestion.
Thank you!
yours Mingwei Wang
----
    Welcome to Rarelab in PKU (http://hpsv.pku.edu.cn)
    Welcome to Rarelab BBS    (http://bbs.chem.pku.edu.cn)





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