August 2015 Archives by author

• Messages sorted by: [ thread ] [ subject ] [ date ]

Starting: Tue Aug 4 12:03:57 BST 2015
Ending: Fri Aug 28 22:24:41 BST 2015
Messages: 25

• [molpro-user] BAD TERMINATION   Ugur Bozkaya
• [molpro-user] How to read the CSFs in a MRCI calculation?   José Cortés
• [molpro-user] How to read the CSFs in a MRCI calculation?   José Cortés
• [molpro-user] How to read the CSFs in a MRCI calculation?   José Cortés
• [molpro-user] Non-convergence error in OPTG program   Cayo Emilio
• [molpro-user] dissociation to higher channel   Fritz Grein
• [molpro-user] BSSE correction schemes in MOLPRO   Ganesh Kamath
• [molpro-user] How to read the CSFs in a MRCI calculation?   Gerald Knizia
• [molpro-user] Convergence not reached for a CCSD iteration in CCSD(T) optimization   Gerald Knizia
• [molpro-user] How to read the CSFs in a MRCI calculation?   Gerald Knizia
• [molpro-user] FCIDUMP   Peter Knowles
• [molpro-user] FCIDUMP   Peter Knowles
• [molpro-user] Problem in eom calcuation   Tatiana Korona
• [molpro-user] Problem in CC2 calcuation   Tatiana Korona
• [molpro-user] crystal field splitting   Lan, Wangwei
• [molpro-user] error message   Andy May
• [molpro-user] dissociation to higher channel   Kirk Peterson
• [molpro-user] FCIDUMP   Martin Spenke
• [molpro-user] FCIDUMP   Martin Spenke
• [molpro-user] Error in excited state geometry optimization using TD-DFT   Ralph Welsch
• [molpro-user] BAD TERMINATION   Hans-Joachim Werner
• [molpro-user] too many mass redefinitions   lydia
• [molpro-user] Problem in eom calcuation   behnam nikoobakht
• [molpro-user] Problem in CC2 calcuation   behnam nikoobakht
• [molpro-user] Convergence not reached for a CCSD iteration in CCSD(T) optimization   wyb

Last message date: Fri Aug 28 22:24:41 BST 2015
Archived on: Sat Aug 29 06:38:13 BST 2015

• Messages sorted by: [ thread ] [ subject ] [ date ]