August 2017 Archives by thread

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Starting: Tue Aug 1 11:02:12 CEST 2017
Ending: Thu Aug 31 17:34:25 CEST 2017
Messages: 43

• [molpro-user] Input geometry of combined system (molecule and ion)   KhanBasir Ahamed (자연과학부)
• [molpro-user] 回复： How to resolve the worring in SOC calculation   Alexander Mitrushchenkov
• [molpro-user] ion-molecule complexes   KhanBasir Ahamed (자연과학부)
  • [molpro-user] ion-molecule complexes   Terry Frankcombe
• [molpro-user] How to resolve the worring in SOC calculation   Murphy, Paul
• [molpro-user] Atom excitation energies and transition moments   Pablo Avaria
  • [molpro-user] *** [SPAM] *** Atom excitation energies and transition moments   Tatiana Korona
    • [molpro-user] Atom excitation energies and transition moments   Pablo Avaria
      • [molpro-user] *** [SPAM] *** Re: Atom excitation energies and transition moments   Tatiana Korona
• [molpro-user] DFT-D3 parameters   Leonid Shirkov
• [molpro-user] (no subject)   Hoffman, Gerald
  • [molpro-user] (no subject)   Peterson, Kirk
  • [molpro-user] (no subject)   Jacky LIEVIN
  • [molpro-user] (no subject)   Eduardo Solis Céspedes
• [molpro-user] Printing Gradients in LCC2/ADC(2)   Zhibo Wang
• [molpro-user] WARNING when computing F12-CCSD(T) harmonic frequencies and F12-VQZ basis set   Andrea PIETROPOLLI CHARMET
• [molpro-user] about Uranium molecules   Eduardo Solis Céspedes
  • [molpro-user] about Uranium molecules   Peterson, Kirk
    • [molpro-user] about Uranium molecules   Eduardo Solis Céspedes
      • [molpro-user] about Uranium molecules   Peterson, Kirk
      • [molpro-user] about Uranium molecules   Eduardo Solis Céspedes
      • [molpro-user] about Uranium molecules   Peterson, Kirk
      • [molpro-user] about Uranium molecules   Eduardo Solis Céspedes
      • [molpro-user] about Uranium molecules   Peterson, Kirk
      • [molpro-user] about Uranium molecules   Eduardo Solis Céspedes
• [molpro-user] MS-MR-CASPT2   KhanBasir Ahamed (자연과학부)
  • [molpro-user] MS-MR-CASPT2   Peterson, Kirk
• [molpro-user] Frequency analysis of electronic excited states   Pablo Avaria
  • [molpro-user] *** [SPAM] *** Frequency analysis of electronic excited states   Tatiana Korona
    • [molpro-user] Frequency analysis of electronic excited states   Pablo Avaria
      • [molpro-user] *** [SPAM] *** Re: Frequency analysis of electronic excited states   Tatiana Korona
• [molpro-user] WARNING when computing F12-CCSD(T) harmonic frequencies   Andrea PIETROPOLLI CHARMET
• [molpro-user] Facing problem with CCSD(T)-F12   Mandal, Bikramaditya
• [molpro-user] optimizing a conical intersection geometry at mrci level   george
• [molpro-user] Can you average over ionised/attached states using SA-CASSCF in Molpro?   Seth Olsen
  • [molpro-user] Can you average over ionised/attached states using SA-CASSCF in Molpro?   Peterson, Kirk
• [molpro-user] Reading initial guess from different geometry   胡连瑞
  • [molpro-user] Reading initial guess from different geometry   Peterson, Kirk
    • [molpro-user] Reading initial guess from different geometry   胡连瑞
• [molpro-user] VCI - insufficient memory available   Dinu, Dennis Florian
• [molpro-user] problem in caspt2   KhanBasir Ahamed (자연과학부)
  • [molpro-user] problem in caspt2   Peterson, Kirk
    • [molpro-user] problem in caspt2   Peterson, Kirk

Last message date: Thu Aug 31 17:34:25 CEST 2017
Archived on: Fri Sep 1 09:18:32 CEST 2017

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