July 2005 Archives by author

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Starting: Fri Jul 1 16:03:21 CEST 2005
Ending: Wed Jul 27 21:41:32 CEST 2005
Messages: 77

[CPMD-list] "NaN" in path integral molecular dynamics? Lan-Feng Yuan (lyuan at Princeton.EDU)
[CPMD-list] imaginary frequency for H2O and (H2O)2 Lan-Feng Yuan (lyuan at Princeton.EDU)
[CPMD-list] imaginary frequency for H2O and (H2O)2 Lan-Feng Yuan (lyuan at Princeton.EDU)
[CPMD-list] some parameters in path integral molecular dynamics Lan-Feng Yuan (lyuan at Princeton.EDU)
[CPMD-list] SUBTRACT COMVEL ROLVEL and Nose? Lan-Feng Yuan (lyuan at Princeton.EDU)
[CPMD-list] origin and error bar of PIMD energies Lan-Feng Yuan (lyuan at Princeton.EDU)
[CPMD-list] no P=1 for path integral? Lan-Feng Yuan (lyuan at Princeton.EDU)
[CPMD-list] path integral: normal & staging modes; electron thermostat Lan-Feng Yuan (lyuan at Princeton.EDU)
[CPMD-list] path integral: normal & staging modes; electron thermostat Lan-Feng Yuan (lyuan at Princeton.EDU)
[CPMD-list] Dipole dynamics vs standard autocorrelation spectrum? Abraham Alaka
[CPMD-list] Path-Integral with crystals Salomon Billeter
[CPMD-list] Dipole dynamics vs standard autocorrelation spectrum? Salomon Billeter
[CPMD-list] Dipole dynamics vs standard autocorrelation spectrum? Salomon Billeter
[CPMD-list] imaginary frequency for H2O and (H2O)2 Salomon Billeter
[CPMD-list] transition state of a molecule Salomon Billeter
[CPMD-list] increased CPU times for wavefunction iterations Salomon Billeter
[CPMD-list] [Fwd: Error Encountered During CPMD-3.9.2 Compilation] Alessandro Curioni
[CPMD-list] [Fwd: Error Encountered During CPMD-3.9.2 Compilation] Alessandro Curioni
[CPMD-list] CPMD format MT_BLYP pseudopotentials for Au Pd Pt and Ir Weiqiao Deng
[CPMD-list] Path-Integral with crystals Przemyslaw Dopieralski
[CPMD-list] Path-Integral with crystals Przemyslaw Dopieralski
[CPMD-list] Dipole dynamics vs standard autocorrelation spectrum? Przemyslaw Dopieralski
[CPMD-list] Dipole dynamics vs standard autocorrelation spectrum? Juerg Hutter
[CPMD-list] Calc of the band gap on the fly during MD Juerg Hutter
[CPMD-list] Pt slab calculation error Juerg Hutter
[CPMD-list] More on NOSE Electrons.. Juerg Hutter
[CPMD-list] LMAX Juerg Hutter
[CPMD-list] "NaN" in path integral molecular dynamics? Juerg Hutter
[CPMD-list] imaginary frequency for H2O and (H2O)2 Juerg Hutter
[CPMD-list] Re: some parameters in path integral molecular dynamics Juerg Hutter
[CPMD-list] imaginary frequency for H2O and (H2O)2 Alexander Isaev
[CPMD-list] Increasing HAM with CONSTRAINTS Eung-Gun Kim
[CPMD-list] FEMD and Tolerance Eung-Gun Kim
[CPMD-list] Problem with restart Axel Klix
[CPMD-list] pthread compilation problems Axel Kohlmeyer
[CPMD-list] [Fwd: Error Encountered During CPMD-3.9.2 Compilation] Axel Kohlmeyer
[CPMD-list] Wannier Reference Axel Kohlmeyer
[CPMD-list] "NaN" in path integral molecular dynamics? Axel Kohlmeyer
[CPMD-list] imaginary frequency for H2O and (H2O)2 Axel Kohlmeyer
[CPMD-list] LMAX Axel Kohlmeyer
[CPMD-list] SUBTRACT COMVEL ROLVEL and Nose? Axel Kohlmeyer
[CPMD-list] transition state of a molecule Axel Kohlmeyer
[CPMD-list] equilibrated system? Axel Kohlmeyer
[CPMD-list] increased CPU times for wavefunction iterations Axel Kohlmeyer
[CPMD-list] Finite temperature (electron) DFT Axel Kohlmeyer
[CPMD-list] path integral: normal & staging modes; electron thermostat Axel Kohlmeyer
[CPMD-list] Magnetic Structures Axel Kohlmeyer
[CPMD-list] orbitals with RHOOUT BANDS Axel Kohlmeyer
[CPMD-list] equilibrated system? Axel Kohlmeyer
[CPMD-list] path integral: normal & staging modes; electron thermostat Axel Kohlmeyer
[CPMD-list] transition state of a molecule Martin Konopka
[CPMD-list] transition state of a molecule Martin Konopka
[CPMD-list] increased CPU times for wavefunction iterations Martin Konopka
[CPMD-list] [Fwd: Error Encountered During CPMD-3.9.2 Compilation] Kozin, I (Igor)
[CPMD-list] Wannier Reference Christian Krekeler
[CPMD-list] Wannier Reference Christian Krekeler
[CPMD-list] Stress cal. Dai Ling
[CPMD-list] Magnetic Structures Gary Martin
[CPMD-list] [Fwd: Error Encountered During CPMD-3.9.2 Compilation] Jin Hong Mei
[CPMD-list] orbitals with RHOOUT BANDS Eneritz Muguruza
[CPMD-list] transition state of a molecule Erik Emilio Santiso
[CPMD-list]Optimize Geometry problem Eduard Schreiner
[CPMD-list] equilibrated system? Nico.Zobel at TU-Berlin.DE
[CPMD-list] LMAX Isaac Tamblyn
[CPMD-list] RE: CPMD-list Digest, Vol 15, Issue 11 Isaac Tamblyn
[CPMD-list] Finite temperature (electron) DFT Isaac Tamblyn
[CPMD-list] imaginary frequency for H2O and (H2O)2 Christian Tuma
[CPMD-list] transition state of a molecule Christian Tuma
[CPMD-list] Re: CPMD-list Digest, Vol 15, Issue 20 Nico Zobel
[CPMD-list] equilibrated system? Nico Zobel
[CPMD-list] PCG MINIMIZE with ROKS MODIFIED GOEDECKER? Eneritz Muguruza gonzalez
[CPMD-list] PCG MINIMIZE with ROKS (MODIFIED GOEDECKER) Eneritz Muguruza gonzalez
[CPMD-list] PCG MINIMIZE with ROKS (MODIFIED GOEDECKER) Eneritz Muguruza gonzalez
[CPMD-list] pthread compilation problems arnaud marmier
[CPMD-list] pthread compilation problems arnaud marmier
[CPMD-list] Mail Authentication atte.sillanpaa at oulu.fi
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Last message date: Wed Jul 27 21:41:32 CEST 2005
Archived on: Sat Mar 10 00:15:00 CET 2007

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