November 2016 Archives by subject

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Starting: Wed Nov 2 18:50:05 CET 2016
Ending: Tue Nov 29 19:13:11 CET 2016
Messages: 14

• [molpro-user] CaF ground state HF and UHF calculation problems with Molpro2015.1.8   侯世林
• [molpro-user] CaF ground state HF and UHF calculation problems with Molpro2015.1.8   Peterson, Kirk
• [molpro-user] CC2/ADC(2) geometry optimization   Avdhoot Datar
• [molpro-user] CC2/ADC(2) geometry optimization in Molpro   Avdhoot Datar
• [molpro-user] DFSAPT exch-disp calculation fails   Enrique Cabaleiro
• [molpro-user] Diatomic potential curve analysis   Somnath Bhowmick
• [molpro-user] Dipole moment function calculations   Anton Fernando
• [molpro-user] Error in Conical Intersection Optimization 2   Florian Rott
• [molpro-user] Error in geometry optimization with dummy centers using DF-HF   Meitei, Oinam
• [molpro-user] Matrix not symmetric in mrcic   Jacky LIEVIN
• [molpro-user] read wavefunctions   binjiang.nju
• [molpro-user] Restarting CCSD(T) calculations   Ang Shi Jun
• [molpro-user] too many variable values   Evangelos Miliordos
• [molpro-user] Unable to retrieve the one-electron and two-electron integrals from *.int   Ang Shi Jun

Last message date: Tue Nov 29 19:13:11 CET 2016
Archived on: Wed Nov 30 07:42:40 CET 2016

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