May 2016 Archives by author

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Starting: Sun May 1 02:36:36 CEST 2016
Ending: Tue May 31 14:32:41 CEST 2016
Messages: 28

• [molpro-user] NMR shielding   Maikel Ballester
• [molpro-user] Fwd: MATROP and WRITE precision   Maksim A. Boyko
• [molpro-user] Lattice of point charges   Maksim A. Boyko
• [molpro-user] repeated CASSCF calculation - two different results:   Peter Burger
• [molpro-user] NEVPT2 - arg of npos too large   Peter Burger
• [molpro-user] NEVPT2 - arg of npos too large   Peter Burger
• [molpro-user] How to save canonical orbital rather than natural orbitals to record 2200.2?   Zhao Chongyang
• [molpro-user] How to put Natural Orbitals obtained by MRCI into molden file?   Zhao Chongyang
• [molpro-user] Sudden crash with mrci-f12   Cayo Emilio
• [molpro-user] How to save canonical orbital rather than natural orbitals to record 2200.2?   Peter Knowles
• [molpro-user] repeated CASSCF calculation - two different results:   Caroline Krauter
• [molpro-user] Memory Problems   Andy May
• [molpro-user] NEVPT2 - arg of npos too large   Alexander Mitrushchenkov
• [molpro-user] CCSD(T)-F12/AVDZ calculation for He   Kirk Peterson
• [molpro-user] CCSD(T)-F12/AVDZ calculation for He   Kirk Peterson
• [molpro-user] dropping virtual orbitals in CC   Kirk Peterson
• [molpro-user] BSSE with ECP potential/basis   Kirk Peterson
• [molpro-user] Using molpro-user with Slurm   Ben Roberts
• [molpro-user] state degeneracy - fundamental question   Amit Sharma
• [molpro-user] BSSE with ECP potential/basis   Amit Sharma
• [molpro-user] BSSE with ECP potential/basis   Amit Sharma
• [molpro-user] MULTI with SELECT CON and different spin multiplicity   Amit Sharma
• [molpro-user] Memory Problems   MD Simulation
• [molpro-user] dropping virtual orbitals in CC   Libor Veis
• [molpro-user] repeated CASSCF calculation - two different results:   Hans-Joachim Werner
• [molpro-user] problem with quadrupole basis set   george
• [molpro-user] CCSD(T)-F12/AVDZ calculation for He   lsong
• [molpro-user] A letter from Chinese student   wu150677 at yahoo.com

Last message date: Tue May 31 14:32:41 CEST 2016
Archived on: Tue May 31 18:02:10 CEST 2016

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