[molpro-user] GAMESS SCF convergrnce problem

"Piotr J. Bardziński" bardzinski at poczta.fm
Sat Feb 18 00:12:06 GMT 2012

Dear Listmembers,

I know that it is not the Gamess-realted list but... may I ask if anyone 
here ever faced the problem of linear dependence in GAMESS UHF 
calculations for charged systems and have some experience on finding the 
proper linear dependence tolerence threshold values?

Best regards

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