November 2014 Archives by thread

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Starting: Sat Nov 1 17:00:39 GMT 2014
Ending: Thu Nov 27 09:40:48 GMT 2014
Messages: 38

• [molpro-user] Selection of certain orbitals to correlate   Peterson, Kirk
  • [molpro-user] Selection of certain orbitals to correlate   Quan Phung
• [molpro-user] Illegal ECP center   Peter Knowles
  • [molpro-user] Illegal ECP center   Jing Yang
    • [molpro-user] Illegal ECP center   Tatiana Korona
• [molpro-user] Zr charge 12?   Jörg Saßmannshausen
  • [molpro-user] Zr charge 12?   Andy May
  • [molpro-user] Zr charge 12?   Timothy Wright
    • [molpro-user] Zr charge 12?   Jörg Saßmannshausen
• [molpro-user] Failing testjobs loc_eom.test and n_uhf_fciqmc.test   Tuononen Heikki
  • [molpro-user] Failing testjobs loc_eom.test and n_uhf_fciqmc.test   Andy May
    • [molpro-user] Failing testjobs loc_eom.test and n_uhf_fciqmc.test   Tuononen Heikki
• [molpro-user] Ionization potential of Hf atom using ECP   Hyungjun Kim
  • [molpro-user] Ionization potential of Hf atom using ECP   Peterson, Kirk
• [molpro-user] Fwd:   Debabrata Halder
  • [molpro-user] Fwd:   Andy May
• [molpro-user] JKFIT basis set for Na+ ? (density fitting basis set)   Hanusha Bhakhoa
  • [molpro-user] JKFIT basis set for Na+ ? (density fitting basis set)   Grant Hill
• [molpro-user] Fwd: Re: Variable from FORCE program   molpro-user
• [molpro-user] Number of electrons in MRCC   Hyungjun Kim
  • [molpro-user] Number of electrons in MRCC   Peterson, Kirk
  • [molpro-user] Number of electrons in MRCC   Hyungjun Kim
  • [molpro-user] Number of electrons in MRCC   Peterson, Kirk
  • [molpro-user] Number of electrons in MRCC   Hyungjun Kim
  • [molpro-user] Number of electrons in MRCC   Peterson, Kirk
• [molpro-user] NEVPT2 with more than 14 orbitals in the active space   Quan Phung
  • [molpro-user] NEVPT2 with more than 14 orbitals in the active space   Cimiraglia Renzo
    • [molpro-user] NEVPT2 with more than 14 orbitals in the active space   Quan Phung
• [molpro-user] Conical intersection search   Subhendu Ghosh
• [molpro-user] CAS with wrong configuration of HF   SungHwan Choi
  • [molpro-user] CAS with wrong configuration of HF   Peterson, Kirk
• [molpro-user] too many primitives, gradient (AGAIN)   Snake
• [molpro-user] Spin-Orbit coupling of d orbital   Hyungjun Kim
  • [molpro-user] Spin-Orbit coupling of d orbital   Peterson, Kirk
• [molpro-user] molpro installation problem   Shachar Klaiman
  • [molpro-user] molpro installation problem   Andy May
    • [molpro-user] molpro installation problem   Scott Brozell
• [molpro-user] CI VECTOR FOR STATE 1 DOES NOT OVERLAP SUFFICIENTLY WITH REFERENCE VECTORS   Dawid das

Last message date: Thu Nov 27 09:40:48 GMT 2014
Archived on: Thu Nov 27 10:00:18 GMT 2014

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