[molpro-user] How to calculate more LS states in SOC

鲁俊波 lujb15 at mails.tsinghua.edu.cn
Sat Jul 1 19:16:05 CEST 2017

Dear all Molpro experts,
   I need to do CASPT2/SOC calculations, but Molpro allow me to calculate 200 LS states in SOC. How can I calculate more LS states in SOC?
   With my best regards,

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