January 2004 Archives by subject

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

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

Last message date: Thu Jan 29 16:53:23 GMT 2004
Archived on: Mon Aug 25 18:42:34 BST 2008

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