October 2008 Archives by author

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Starting: Wed Oct 1 09:38:59 UTC 2008
Ending: Thu Oct 30 20:07:32 UTC 2008
Messages: 141

Core and valence contributions to the Hyperfine parameters Ahmad
EAM/MEAM Axel
Force field for fully flexible water Axel
EAM/MEAM Axel
Path-integrals status Axel
unexpected outputs with current cvs code Axel
charged system with CP2K Axel
Compiling cp2k serial on x86_64 Intel Xeon Intel Ifort Suse Enterprise 9 Axel
R: [CP2K:1456] Re: Compiling cp2k serial on x86_64 Intel Xeon Intel Ifort Suse Enterprise 9 Axel
molecular dipoles of charged molecules Axel
R: [CP2K:1456] Re: Compiling cp2k serial on x86_64 Intel Xeon Intel Ifort Suse Enterprise 9 Axel
how to avoid repeated printout of step 0 with wannier centers Axel
molecular dipoles of charged molecules Axel
how to avoid repeated printout of step 0 with wannier centers Axel
molecular dipoles of charged molecules Axel
molecular dipoles of charged molecules Axel
Compiling cp2k serial on x86_64 Intel Xeon Intel Ifort Suse Enterprise 9 (PARALLEL) Axel
bulk water vs. DFTB Axel
bulk water vs. DFTB Axel
bulk water vs. DFTB Axel
bulk water vs. DFTB Axel
Path-integrals status Harald Forbert
Copper pseudopotential Francesco
Copper pseudopotential Francesco
bulk water vs. DFTB Johannes Frenzel
PM6 for Ce Nguyen Ngoc Ha
How to use metadyn tools? Nguyen Ngoc Ha
How to use metadyn tools? Nguyen Ngoc Ha
[CP2K:1374] The meaning of the name CP2K Juerg Hutter
[CP2K:1380] k-point sampling in CP2K Juerg Hutter
[CP2K:1382] Re: k-point sampling in CP2K Juerg Hutter
[CP2K:/] EAM/MEAM Juerg Hutter
[CP2K:1416] NPT simulations Juerg Hutter
[CP2K:1429] Copper pseudopotential Juerg Hutter
[CP2K:1428] Core and valence contributions to the Hyperfine parameters Juerg Hutter
[CP2K:1436] UKS calculations with HCTH120 functional Juerg Hutter
[CP2K:1495] bulk water vs. DFTB Juerg Hutter
[CP2K:1401] Core level shift Marcella Iannuzzi
MD on cp2k Marcella Iannuzzi
[CP2K:1496] PM6 for Ce Teodoro Laino
[CP2K:1512] variable cell optimization Teodoro Laino
charged system with CP2K S. Ling
charged system with CP2K S. Ling
charged system with CP2K S. Ling
R: [CP2K:1456] Re: Compiling cp2k serial on x86_64 Intel Xeon Intel Ifort Suse Enterprise 9 S. Ling
available units of measure Matthias
available units of measure Matthias
[CP2K:1444] Path-integrals status Fawzi Mohamed
variable cell optimization Rad
variable cell optimization Rad
[CP2K:1424] Re: Specifying QM/MM system Marius Retegan
Compiling cp2k serial on x86_64 Intel Xeon Intel Ifort Suse Enterprise 9 Roberto Scipioni
Compiling cp2k serial on x86_64 Intel Xeon Intel Ifort Suse Enterprise 9 Roberto Scipioni
R: [CP2K:1456] Re: Compiling cp2k serial on x86_64 Intel Xeon Intel Ifort Suse Enterprise 9 Roberto Scipioni
Compiling cp2k serial on x86_64 Intel Xeon Intel Ifort Suse Enterprise 9 (PARALLEL) Roberto Scipioni
R: [CP2K:1476] Re: Compiling cp2k serial on x86_64 Intel Xeon Intel Ifort Suse Enterprise 9 (PARALLEL) Roberto Scipioni
R: SOLVED - Compiling cp2k serial on x86_64 Intel Xeon Intel Ifort Suse Enterprise 9 (PARALLEL) Roberto Scipioni
Defect distribution Si-jung
[CP2K:1378] Re: EAM Force Field for Au Laino Teodoro
[CP2K:1380] k-point sampling in CP2K Laino Teodoro
[CP2K:1386] EMAX_SPLINE too small Laino Teodoro
[CP2K:1386] EMAX_SPLINE too small Laino Teodoro
[CP2K:1389] Re: EMAX_SPLINE too small Laino Teodoro
[CP2K:1389] Re: EMAX_SPLINE too small Laino Teodoro
[CP2K:1395] Re: EMAX_SPLINE too small Laino Teodoro
[CP2K:1398] Re: EMAX_SPLINE too small Laino Teodoro
[CP2K:1372] EAM Force Field for Au Laino Teodoro
[CP2K:1411] Well-Tempered Metadynamics Laino Teodoro
[CP2K:1409] Force field for fully flexible water Laino Teodoro
[CP2K:1414] Re: Force field for fully flexible water Laino Teodoro
[CP2K:1416] NPT simulations Laino Teodoro
[CP2K:1417] Re: EAM/MEAM Laino Teodoro
[CP2K:1423] Specifying QM/MM system Laino Teodoro
[CP2K:1426] Re: Specifying QM/MM system Laino Teodoro
[CP2K:1429] Copper pseudopotential Laino Teodoro
[CP2K:1431] Re: Copper pseudopotential Laino Teodoro
[CP2K:1438] PDB dump format Laino Teodoro
[CP2K:1441] No TARGET field in FIXED_ATOMS section Laino Teodoro
[CP2K:1441] No TARGET field in FIXED_ATOMS section Laino Teodoro
[CP2K:1445] unexpected outputs with current cvs code Laino Teodoro
[CP2K:1449] charged system with CP2K Laino Teodoro
[CP2K:1459] molecular dipoles of charged molecules Laino Teodoro
[CP2K:1462] how to avoid repeated printout of step 0 with wannier centers Laino Teodoro
[CP2K:1459] molecular dipoles of charged molecules Laino Teodoro
[CP2K:1462] how to avoid repeated printout of step 0 with wannier centers Laino Teodoro
[CP2K:1467] Re: molecular dipoles of charged molecules Laino Teodoro
[CP2K:1470] Re: molecular dipoles of charged molecules Laino Teodoro
[CP2K:1472] Re: molecular dipoles of charged molecules Laino Teodoro
[CP2K:1475] Compiling cp2k serial on x86_64 Intel Xeon Intel Ifort Suse Enterprise 9 (PARALLEL) Laino Teodoro
[CP2K:1480] Prevent MM water diffusion into QM box. Laino Teodoro
[CP2K:1482] Defect distribution Laino Teodoro
[CP2K:1484] Re: Defect distribution Laino Teodoro
[CP2K:1486] Re: Prevent MM water diffusion into QM box. Laino Teodoro
LOCALIZE - LOCALIZATION : restructuring Laino Teodoro
available units of measure Laino Teodoro
[CP2K:1491] Re: available units of measure Laino Teodoro
[CP2K:1493] Re: available units of measure Laino Teodoro
[CP2K:1501] Re: bulk water vs. DFTB Laino Teodoro
[CP2K:1503] How to use metadyn tools? Laino Teodoro
EMAX_SPLINE too small Matt W
[CP2K:1483] Re: Defect distribution Younsuk Yun
Core level shift c.pignedoli
XAS input c.pignedoli
molecular dipoles of charged molecules cavallo
The meaning of the name CP2K ilya
The meaning of the name CP2K ilya
Well-Tempered Metadynamics ilya
Specifying QM/MM system ilya
Specifying QM/MM system ilya
PDB dump format ilya
PDB dump format ilya
No TARGET field in FIXED_ATOMS section ilya
Prevent MM water diffusion into QM box. ilya
Prevent MM water diffusion into QM box. ilya
Core level shift marci
XAS input marci
XAS input marci
EAM Force Field for Au nadler
Force field for fully flexible water nadler
Force field for fully flexible water nadler
Force field for fully flexible water nadler
[CP2K:1382] Re: k-point sampling in CP2K carlo antonio pignedoli
[CP2K:1402] Re: Core level shift carlo antonio pignedoli
[CP2K:1404] Re: Core level shift carlo antonio pignedoli
[CP2K:1508] Re: XAS input carlo antonio pignedoli
[CP2K:1508] Re: XAS input carlo antonio pignedoli
EMAX_SPLINE too small salah
EMAX_SPLINE too small salah
EMAX_SPLINE too small salah
EMAX_SPLINE too small salah
EMAX_SPLINE too small salah
EAM/MEAM salah
EAM/MEAM salah
k-point sampling in CP2K spak
k-point sampling in CP2K spak
k-point sampling in CP2K spak
orbital decomposition spak
NPT simulations tomfrigato
NPT simulations tomfrigato
UKS calculations with HCTH120 functional tomfrigato
GAPW/LINRES problems vweber

Last message date: Thu Oct 30 20:07:32 UTC 2008
Archived on: Thu Mar 3 11:47:24 UTC 2022

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