December 2005 Archives by author
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
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- [CPMD-list] help, the problem still exist
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- [CPMD-list] help, the meaning of LDOS
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- [CPMD-list] help, draw ELECTROSTATIC POTENTIAL
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- [CPMD-list] help on the kohn-sham energies!
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- [CPMD-list] CPMD on DEC-ALPHA!
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- [CPMD-list] ask for help
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- [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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