December 2005 Archives by thread

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

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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