January 2004 Archives by thread

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

Starting: Fri Jan 9 15:17:27 GMT 2004
Ending: Thu Jan 29 16:53:23 GMT 2004
Messages: 23

• No binding of Pt2!   Joris Kuipers
  • No binding of Pt2!   Li, Jun
• No binding of Pt2   Joris Kuipers
• Print the reduced density matrix   wangbw
  • Print the reduced density matrix   Peter Knowles
• TOO MANY ENTRIES IN RECORD ...   Michael Vogel
• "maxrec not big enough"   Charles Arrington
  • "maxrec not big enough"   Nick Wilson
• correct HF orbitals   Antara Dutta
• MRCI crashes with too many orbitals error   Joris Kuipers
  • MRCI crashes with too many orbitals error   H. -J. Werner
• Asking for a help   Godefroid Gahungu
  • Difficulties to tune or test MOLPRO 2002.6   Godefroid Gahungu
    • Difficulties to tune or test MOLPRO 2002.6   Nick Wilson
• Can spin-orbit use both all-E and ECP basis sets simultaneously?   Meirong Lin
• spin-orbit eigenvectors   Shai Ronen
• How to print more orbitals in DFT?   Li, Jun
  • How to print more orbitals in DFT?   Peter Knowles
• open shell wavefunctions with zero total spin in molpro   Xiaojing Shi
• RI-MP2 calculations   hcmch at cup.uni-muenchen.de
• MOLPRO >2GB RAM on IA32/Linux?   Gershom (Jan M.L.) Martin
  • MOLPRO >2GB RAM on IA32/Linux?   Nick Wilson
• B3LYP Geometry Optimization   John S. Sears

Last message date: Thu Jan 29 16:53:23 GMT 2004
Archived on: Fri Apr 4 12:08:31 BST 2014

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