April 2008 Archives by thread

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Starting: Tue Apr 1 14:40:05 BST 2008
Ending: Wed Apr 30 16:08:15 BST 2008
Messages: 31

• [molpro-user] CPMCSCF card limit   Tom Keal
  • [molpro-user] CPMCSCF card limit   Hans-Joachim Werner
• [molpro-user] "Expectation value and eigenvalue not identical"   Dan Haxton
• [molpro-user] Integral thresholds for CCSD(T)   Mikael Johansson
• [molpro-user] problems with CASPT2   Cristopher Camacho
  • [molpro-user] problems with CASPT2   Cristopher Camacho
• No subject   Ilias Sioutis
• [molpro-user] units of electric field   K T
  • [molpro-user] units of electric field   Tatiana Korona
  • [molpro-user] units of electric field   Lorenzo Lodi
• [molpro-user]Error: MCSCF not converged   张世扬
• [molpro-user] {SPAM}? Problem Specifying Atom Groups when using DISSOC Constraint in SLAPAF   Laura McDriscoll
• [molpro-user]How to do MRSDCI calculations?   Yong
  • [molpro-user]How to do MRSDCI calculations?   Kirk Peterson
• [molpro-user] Bug in iom.F in Version 2006.1 Patch level: 154   Glaesemann, Kurt R (Kort)
• [molpro-user] select card problem when calculate multi-state   Yong
• [molpro-user] Is it possible to limit the external orbitals in MRCI?   Yong
  • [molpro-user] Is it possible to limit the external orbitals in MRCI?   Dan Haxton
• [molpro-user] How to alter the active space   John Payton
  • [molpro-user] How to alter the active space   Kirk Peterson
  • [molpro-user] How to alter the active space   Seth Olsen
• [molpro-user] weird SCF convergence/reproducibility problem   Gershom (Jan M.L.) Martin
  • [molpro-user] weird SCF convergence/reproducibility problem   Gregory Sandala
  • [molpro-user] weird SCF convergence/reproducibility problem   Wolfgang Eisfeld
• [molpro-user] weird SCF convergence/reproducibility problem [2nd try]   Gershom (Jan M.L.) Martin
• [molpro-user] gabedit and molpro   zhendong zhao
  • [molpro-user] gabedit and molpro   allouche
  • [molpro-user] gabedit and molpro   zhendong zhao
• [molpro-user] Running problem   Attila Bende
  • [molpro-user] Running problem   Andy May
  • [molpro-user] Running problem   zhendong zhao

Last message date: Wed Apr 30 16:08:15 BST 2008
Archived on: Fri Apr 4 12:08:38 BST 2014

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