[molpro-user] HELP:error message appears when printing
跌而后起
zhangrutangtao at 163.com
Mon Oct 15 10:32:22 BST 2012
Dear colleagues,
recently,I meet a strange phenomenon。
Even the casscf has been convergent,it seems something wrong when it prints the information that the process abruptly quits。
The error “ EXCESSIVE GRADIENT IN CI” appearance when printing instead of the beginning is strange for me。
Suggestions about any of question will be appreciated。
- best regard
-tao
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