September 2016 Archives by subject

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Starting: Tue Sep 6 23:14:48 CEST 2016
Ending: Fri Sep 30 12:12:45 CEST 2016
Messages: 17

• [molpro-user] Analytic geometry optimization with density-fitting CASSCF by RS2 did not work   Kenny W
• [molpro-user] Analytic geometry optimization with density-fitting CASSCF by RS2 did not work   Werner Győrffy
• [molpro-user] A question concerning the VPT2 module in molpro   Guntram Rauhut
• [molpro-user] df-lccsd(t) with avtz (Li+ complex)   Hanusha Bhakhoa
• [molpro-user] DF-LCCSD(T) with core electrons   Lee E.P.F.
• [molpro-user] DF-LCCSD(T) with core electrons, again   Lee E.P.F.
• [molpro-user] DF-LCCSD(T) with core electrons, again   Tatiana Korona
• [molpro-user] E2exdisp in CCSD-SAPT converges to the wrong value in DC+BS   Leonid Shirkov
• [molpro-user] E2exdisp in CCSD-SAPT converges to the wrong value in DC+BS   Tatiana Korona
• [molpro-user] E2exdisp in CCSD-SAPT converges to the wrong value in DC+BS   Leonid Shirkov
• [molpro-user] help   theophile tchakoua
• [molpro-user] MATROP in MOLPRO 2010.1   Andrey Pershin
• [molpro-user] MATROP in MOLPRO 2010.1   Tatiana Korona
• [molpro-user] Molden plot/dump of all localized orbitals   Tatiana Korona
• [molpro-user] Molden plot/dump of all localized orbitals   Peter Burger
• [molpro-user] Problems in State-average CASSCF opt with different basis sets   貓...
• [molpro-user] What does "no convergence in dis1" mean?   貓...

Last message date: Fri Sep 30 12:12:45 CEST 2016
Archived on: Sun Oct 2 07:22:32 CEST 2016

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