January 2016 Archives by thread

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Starting: Fri Jan 1 10:02:58 CET 2016
Ending: Wed Jan 27 20:50:24 CET 2016
Messages: 19

• [molpro-user] MRCIS and MRCISD calculation   Subhendu Ghosh
  • [molpro-user] MRCIS and MRCISD calculation   Kirk Peterson
• [molpro-user] Failed CCSD calculation with Molpro 2015 and Intel 2015   王黎明
• [molpro-user] SURF & ZPVE vs VSCF & THERMO   Simmie, John
  • [molpro-user] SURF & ZPVE vs VSCF & THERMO   Guntram Rauhut
• [molpro-user] spin orbit error and compile error.   Amit Sharma
  • [molpro-user] spin orbit error and compile error.   Gerald Knizia
    • [molpro-user] spin orbit error and compile error.   Amit Sharma
  • [molpro-user] spin orbit error and compile error.   Andy May
• [molpro-user] Question regarding paper "The Electronic Ground State of [Fe(CO)3(NO)]- A Spectroscopic and Theoretical Study"   Martin Spenke
• [molpro-user] Fwd: CASSCF active space   Aurélie Perveaux
  • [molpro-user] CASSCF active space   Hans-Joachim Werner
• [molpro-user] Large freq calculation fails   Alan Chien
• [molpro-user] Failure in CCSD(T) with Molpro 2015   王黎明
• [molpro-user] slurm integration issues   Near-Ansari, Naveed
• [molpro-user] Molpro Installation Error   Bijit Mukherjee
  • [molpro-user] Molpro Installation Error   Andy May
• [molpro-user] The fomat of coefficient of molecular or natural orbital   nozaki hiro
  • [molpro-user] The fomat of coefficient of molecular or natural orbital   Kirk Peterson

Last message date: Wed Jan 27 20:50:24 CET 2016
Archived on: Wed Jan 27 20:51:35 CET 2016

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