May 2007 Archives by author

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Starting: Tue May 1 06:21:22 BST 2007
Ending: Thu May 31 17:46:29 BST 2007
Messages: 35

• [molpro-user] Error in CI module with SELECT/CON   Christian Bürgel
• [molpro-user] Multiple geom configuration   Arik Cohen
• [molpro-user] conical intersection optimization using CPMCSCF   Shireen Falah
• [molpro-user] ss-sr-caspt2 geometry optimization output problems   Benj FitzPatrick
• [molpro-user] Where have the cc-pwCVXZ basis sets gone?   Benj FitzPatrick
• [molpro-user] WARNING: exit with wrong ci vector!!   Terry Frankcombe
• [molpro-user] Making SCF converge to the ground state   Terry Frankcombe
• [molpro-user] calculate the dipole transition moments   Yusong Hao
• [molpro-user] question about energy scale   Andreas Hesselmann
• [molpro-user] segmentation error   Glen Jenness
• [molpro-user] DFT question   Peter Knowles
• [molpro-user] Mulliken Spin Population   Peter Knowles
• [molpro-user] Error in CI module with SELECT/CON   Peter Knowles
• [molpro-user] maxcyc question   Rika Kobayashi
• [molpro-user] maxcyc again   Rika Kobayashi
• [molpro-user] maxcyc - problem solved   Rika Kobayashi
• [molpro-user] EOM-CCSD second moments   Tatiana Korona
• [molpro-user] EOM-CCSD second moments   Tatiana Korona
• [molpro-user] Basis input question   Elizabeth Krenske
• [molpro-user] CI with more than 10 states   Jacky LIEVIN
• [molpro-user] Molpro 2006.1 mpirun   Joseph Lane
• [molpro-user] EOM-CCSD second moments   Joseph Lane
• [molpro-user] energy gradients   Jeremy Merritt
• [molpro-user] Re: new syntax for explicit dft exchange and correlation functionals? (fwd)   Alexander Mitrushchenkov
• [molpro-user] new syntax for explicit dft exchange and correlation functionals?   Garold Murdachaew
• [molpro-user] question about energy scale   Yusuke Nakagawa
• [molpro-user] Basis input question   Kirk Peterson
• [molpro-user] Making SCF converge to the ground state   Kirk Peterson
• [molpro-user] Where have the cc-pwCVXZ basis sets gone?   Kirk Peterson
• [molpro-user] Molpro 2006.1 mpirun   Manhui Wang
• [molpro-user] CI with more than 10 states   H.-J. Werner
• [molpro-user] Making SCF converge to the ground state   H.-J. Werner
• [molpro-user] Making SCF converge to the ground state   H.-J. Werner
• [molpro-user] Mulliken Spin Population   tapang at barc.gov.in
• [molpro-user] DFT question   lillestolen

Last message date: Thu May 31 17:46:29 BST 2007
Archived on: Mon Aug 25 18:42:38 BST 2008

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