December 2005 Archives by author

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Starting: Thu Dec 1 06:36:00 CET 2005
Ending: Sat Dec 31 13:55:24 CET 2005
Messages: 89

• [CPMD-list] What are classic energies for CP MD and PI MD?   Lan-Feng Yuan (lyuan at Princeton.EDU)
• [CPMD-list] how to do constraint optimization?   Lan-Feng Yuan (lyuan at Princeton.EDU)
• [CPMD-list] What are classic energies for CP MD and PI MD?   Lan-Feng Yuan (lyuan at Princeton.EDU)
• [CPMD-list] What are classic energies for CP MD and PI MD?   Lan-Feng Yuan (lyuan at Princeton.EDU)
• [CPMD-list] how to do constraint optimization?   Lan-Feng Yuan (lyuan at Princeton.EDU)
• [CPMD-list] how to do constraint optimization?   Lan-Feng Yuan (lyuan at Princeton.EDU)
• [CPMD-list] how to do constraint optimization?   Lan-Feng Yuan (lyuan at Princeton.EDU)
• [CPMD-list] some problems need your help   =?gb2312?B?U2hhbmd5aSBNYQ==?=
• [CPMD-list] help, the problem still exist   =?gb2312?B?U2hhbmd5aSBNYQ==?=
• [CPMD-list] help, the meaning of LDOS   =?gb2312?B?U2hhbmd5aSBNYQ==?=
• [CPMD-list] help, draw ELECTROSTATIC POTENTIAL   =?gb2312?B?U2hhbmd5aSBNYQ==?=
• [CPMD-list] help on the kohn-sham energies!   =?gb2312?B?U2hhbmd5aSBNYQ==?=
• [CPMD-list] CPMD on DEC-ALPHA!   =?gb2312?B?tPe80e7a?=
• [CPMD-list] ask for help   =?gb2312?q?=B7=F2=B2=A8=20=CC=EF?=
• [CPMD-list] geometry optimization of a carbon nanotube   Hiroshi Amawashi
• [CPMD-list] ATOMIC CHARGES   Younes Ansari
• [CPMD-list] 48 nodes super computer   Younes Ansari
• [CPMD-list] want some PSP files   Younes Ansari
• [CPMD-list] how to do constraint optimization?   Salomon Billeter
• [CPMD-list] how to do constraint optimization?   Salomon Billeter
• [CPMD-list] how to do constraint optimization?   Salomon Billeter
• [CPMD-list] how to do constraint optimization?   Salomon Billeter
• [CPMD-list] forces, convergence and gga   De Dobbelaere Christopher
• [CPMD-list] forces, convergence and gga   De Dobbelaere Christopher
• [CPMD-list] forces, convergence and gga   De Dobbelaere Christopher
• [CPMD-list] Is this input mistake important?   Przemyslaw Dopieralski
• [CPMD-list] ATOMIC CHARGES   Juerg Hutter
• [CPMD-list] Why convergence is so slow?   Juerg Hutter
• [CPMD-list] forces, convergence and gga   Juerg Hutter
• [CPMD-list] still cpmd2cube segmentation fault error occurring   Juerg Hutter
• [CPMD-list] Compilation Problems   Juerg Hutter
• [CPMD-list] B3LYP implementation   Juerg Hutter
• [CPMD-list] Problem about charge!   Juerg Hutter
• [CPMD-list] Is this input mistake important?   Juerg Hutter
• [CPMD-list] 48 nodes super computer   Axel Kohlmeyer
• [CPMD-list] geometry optimization of a carbon nanotube   Axel Kohlmeyer
• [CPMD-list] help, the problem still exist   Axel Kohlmeyer
• [CPMD-list] forces, convergence and gga   Axel Kohlmeyer
• [CPMD-list] forces, convergence and gga   Axel Kohlmeyer
• [CPMD-list] help, the meaning of LDOS   Axel Kohlmeyer
• [CPMD-list] What are classic energies for CP MD and PI MD?   Axel Kohlmeyer
• [CPMD-list] how to do constraint optimization?   Axel Kohlmeyer
• [CPMD-list] [help] Pseudopotential for Ni   Axel Kohlmeyer
• [CPMD-list] how to do constraint optimization?   Axel Kohlmeyer
• [CPMD-list] What are classic energies for CP MD and PI MD?   Axel Kohlmeyer
• [CPMD-list] cpmd2cube segmentation fault error   Axel Kohlmeyer
• [CPMD-list] help, draw ELECTROSTATIC POTENTIAL   Axel Kohlmeyer
• [CPMD-list] want some PSP files   Axel Kohlmeyer
• [CPMD-list] help on the kohn-sham energies!   Axel Kohlmeyer
• [CPMD-list] How to view the orbitals or density by Molekel?   Axel Kohlmeyer
• [CPMD-list] Re: still cpmd2cube segmentation fault error occurring   Axel Kohlmeyer
• [CPMD-list] still cpmd2cube segmentation fault error occurring   Axel Kohlmeyer
• [CPMD-list] cpmd-3.9.2 run error   Axel Kohlmeyer
• [CPMD-list] Compilation error   Axel Kohlmeyer
• [CPMD-list] Re: CPMD-list Digest, Vol 20, Issue 22   Axel Kohlmeyer
• [CPMD-list] metadynamics   Axel Kohlmeyer
• [CPMD-list] How to make a bond broken by force?   Axel Kohlmeyer
• [CPMD-list] CPMD on DEC-ALPHA!   Axel Kohlmeyer
• [CPMD-list] some questions about path integral molecular dynamics   Axel Kohlmeyer
• [CPMD-list] Problem about CONSTRAINT!   Axel Kohlmeyer
• [CPMD-list] ask for help   Axel Kohlmeyer
• [CPMD-list] cpmd-3.9.2 run error   Wolfram Quester
• [CPMD-list] Compilation Problems   Rad
• [CPMD-list] Problem about charge!   Eduard Schreiner
• [CPMD-list] some problems need your help   Ari P Seitsonen
• [CPMD-list] how to do constraint optimization?   Ari P Seitsonen
• [CPMD-list] still cpmd2cube segmentation fault error occurring   Ari P Seitsonen
• [CPMD-list] cpmd-3.9.2 run error   Ari P Seitsonen
• [CPMD-list] Problem about charge!   Ari P Seitsonen
• [CPMD-list] Problem about charge!   Ari P Seitsonen
• [CPMD-list] Problem about charge!   Ari P Seitsonen
• [CPMD-list] Is this input mistake important?   Ari P Seitsonen
• [CPMD-list] Compilation error   A Sen
• [CPMD-list] some questions about path integral molecular dynamics   Chen Ying
• [CPMD-list] Why convergence is so slow?   Yang Zhenyu
• [CPMD-list] [help] Pseudopotential for Ni   Yang Zhenyu
• [CPMD-list] How to view the orbitals or density by Molekel?   Yang Zhenyu
• [CPMD-list] How to make a bond broken by force?   Yang Zhenyu
• [CPMD-list] Problem about CONSTRAINT!   Yang Zhenyu
• [CPMD-list] Problem about charge!   Yang Zhenyu
• [CPMD-list] Problem about charge!   Yang Zhenyu
• [CPMD-list] cpmd2cube segmentation fault error   haider abbas
• [CPMD-list] still cpmd2cube segmentation fault error occurring   haider abbas
• [CPMD-list] still cpmd2cube segmentation fault error occurring   haider abbas
• [CPMD-list] cpmd-3.9.2 run error   haider abbas
• [CPMD-list] still cpmd2cube segmentation fault error occurring   nnair at theochem.ruhr-uni-bochum.de
• [CPMD-list] metadynamics   gunaydin at ucla.edu
• [CPMD-list] Re: CPMD-list Digest, Vol 20, Issue 22   sv0037 at unt.edu
• [CPMD-list] B3LYP implementation   Алексей Карговский

Last message date: Sat Dec 31 13:55:24 CET 2005
Archived on: Sat Mar 10 00:15:02 CET 2007

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