April 2007 Archives by thread

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Starting: Mon Apr 2 08:48:50 BST 2007
Ending: Mon Apr 30 17:31:49 BST 2007
Messages: 42

• [molpro-user] MCSCF orbitals   Peter Reinhardt
• [molpro-user] Errors in manual: DELT and OPRD   Manhui Wang
• [molpro-user] reorder MOs   Shireen Falah
  • [molpro-user] reorder MOs   Kirk Peterson
• [molpro-user] MS-CASPT2 for MOLPRO   Mitchell Ong
• [molpro-user] basis set for Co-based organometallic compound   odmitr at UDel.Edu
• [molpro-user] basis set for Co-based organometallic compound   Ben Shepler
• [molpro-user] Basis set issue in SAPT   Bun Chan
  • [molpro-user] Basis set issue in SAPT   Kirk Peterson
• [molpro-user] Unable to run trial version   xuanli at ou.edu
• [molpro-user] Molpro error on file   GUILHERME F DE SOUZA MIGUEL
• [molpro-user] Molpro installation problems on PowerPC,i8,Linux   Rita Prosmiti
• [molpro-user] CUBE file   Jeremy Merritt
  • [molpro-user] CUBE file   Peter Knowles
• [molpro-user] CUBE file   David Woon
• [molpro-user] error in running   yusuke at amo.t.u-tokyo.ac.jp
  • [molpro-user] error in running   Nick Wilson
• [molpro-user] CASPT2 calculation too big   Sarah Wilsey
  • [molpro-user] CASPT2 calculation too big   H.-J. Werner
• [molpro-user] Error on ORTHS   GUILHERME F DE SOUZA MIGUEL
• [molpro-user] icpks convergence problem   Glen Jenness
• [molpro-user] rs2 transition state geometry optimization dies at first rs2 single point calc   Benj FitzPatrick
  • [molpro-user] rs2 transition state geometry optimization dies at first rs2 single point calc   Alexander Mitrushchenkov
• [molpro-user] explicit input / basis and ECP   Martin Korth
  • [molpro-user] explicit input / basis and ECP   Alexander Mitrushchenkov
    • [molpro-user] explicit input / basis and ECP   Martin Korth
• [molpro-user] explicit input / basis and ECP / part 2   Martin Korth
• [molpro-user] Error in MCSCF.   Wang Mingwei
• [molpro-user] Error in MCSCF.   Wang Mingwei
• [molpro-user] icpks convergence problem   Andreas Hesselmann
  • [molpro-user] icpks convergence problem   Tatiana Korona
• [molpro-user] rs2 transition state geometry optimization dies at first rs2 single point calc   Benj FitzPatrick
• [molpro-user] rs2 frequency calculcation complains about large gradient norm   Benj FitzPatrick
• [molpro-user] Relocatable rpm   Joseph Lane
• [molpro-user] icpks convergence problem   Andreas Hesselmann
• [molpro-user] dispersion question   Glen Jenness
• [molpro-user] dispersion question   Andreas Hesselmann
  • [molpro-user] dispersion question   Glen Jenness
• [molpro-user] Error in MCSCF.   Wang Mingwei
• [molpro-user] optimal HDD configuration for Molpro   Marcel Drabbels
• [molpro-user] convergence of Cs symmetry   tnc5 at uakron.edu
  • [molpro-user] convergence of Cs symmetry   Kirk Peterson

Last message date: Mon Apr 30 17:31:49 BST 2007
Archived on: Mon Aug 25 18:42:38 BST 2008

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