September 2009 Archives by date

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Starting: Sun Sep 6 11:10:48 UTC 2009
Ending: Tue Sep 29 13:32:31 UTC 2009
Messages: 74

• convergence & cutoff madness   Toon Verstraelen
• [CP2K:2248] convergence & cutoff madness   Toon Verstraelen
• Bug in the cell-optimization   xujroman
• [CP2K:2250] Bug in the cell-optimization   Teodoro Laino
• Bug in the cell-optimization   xujroman
• [CP2K:2248] convergence & cutoff madness   Toon Verstraelen
• [CP2K:2253] Re: convergence & cutoff madness   Fawzi Mohamed
• [CP2K:2252] Re: Bug in the cell-optimization   Teodoro Laino
• [CP2K:2254] Re: convergence & cutoff madness   Toon Verstraelen
• Bug in the cell-optimization   xujroman
• [CP2K:2257] Re: Bug in the cell-optimization   Laino Teodoro
• routine for electron - nuclei (core) interaction   Hanning Chen
• [CP2K:2259] routine for electron - nuclei (core) interaction   Juerg Hutter
• [CP2K:2260] Re: routine for electron - nuclei (core) interaction   Hanning Chen
• Basis set for Niobium   Nguyen Ngoc Ha
• Basis set for Niobium   Nguyen Ngoc Ha
• [CP2K:2262] Basis set for Niobium   Juerg Hutter
• [CP2K:2264] Re: Basis set for Niobium   Nguyen Ngoc Ha
• NLUMO, EIGENVALUES   xujroman
• NLUMO, EIGENVALUES   flo
• NLUMO, EIGENVALUES   xujroman
• semiempirical calculations   Marius Retegan
• [CP2K:2269] semiempirical calculations   Teodoro Laino
• [CP2K:2270] Re: semiempirical calculations   Marius Retegan
• [CP2K:2271] Re: semiempirical calculations   Teodoro Laino
• [CP2K:2272] Re: semiempirical calculations   Marius Retegan
• cp2k and Bader analysis   Jörg Saßmannshausen
• [CP2K:2274] cp2k and Bader analysis   Ondrej Marsalek
• cp2k and Bader analysis   Axel Kohlmeyer
• [CP2K:2276] Re: cp2k and Bader analysis   Ondrej Marsalek
• [CP2K:2276] Re: cp2k and Bader analysis   Jörg Saßmannshausen
• Error when try TZVP-GTH   Dong
• cp2k and Bader analysis   Axel Kohlmeyer
• cp2k and Bader analysis   Axel Kohlmeyer
• [CP2K:2279] Error when try TZVP-GTH   Liu
• [CP2K:2282] Re: Error when try TZVP-GTH   Teodoro Laino
• [CP2K:2281] Re: cp2k and Bader analysis   Jörg Saßmannshausen
• [CP2K:/] Re: Error when try TZVP-GTH   Liu
• [CP2K:2285] Re: [CP2K:/] Re: Error when try TZVP-GTH   Juerg Hutter
• [CP2K:2286] Re: [CP2K:/] Re: Error when try TZVP-GTH   Liu
• [CP2K:2287] Re: [CP2K:/] Re: Error when try TZVP-GTH   Juerg Hutter
• [CP2K:2288] Re: [CP2K:/] Re: Error when try TZVP-GTH   Liu
• [CP2K:2289] Re: [CP2K:/] Re: Error when try TZVP-GTH   Juerg Hutter
• make cp2k ppc64   Francesco
• make cp2k ppc64   Axel Kohlmeyer
• can cp2k do variable-cell optimization ?   Dong
• [CP2K:2293] can cp2k do variable-cell optimization ?   Teodoro Laino
• Error on malformed input file   Ondrej Marsalek
• [CP2K:2295] Error on malformed input file   Laino Teodoro
• [CP2K:2296] Re: Error on malformed input file   Ondrej Marsalek
• CP2K build with Intel Compiler and MKL   Ondrej Marsalek
• [CP2K:2298] CP2K build with Intel Compiler and MKL   Marius Retegan
• how to set COMVEL-TOL   Dong
• [CP2K:2300] how to set COMVEL-TOL   Teodoro Laino
• CP2K build with Intel Compiler and MKL   Ondrej Marsalek
• CP2K build with Intel Compiler and MKL   Ondrej Marsalek
• CP2K build with Intel Compiler and MKL   Matthias
• [CP2K:2304] Re: CP2K build with Intel Compiler and MKL   Ondrej Marsalek
• CP2K build with Intel Compiler and MKL   Axel Kohlmeyer
• CP2K build with Intel Compiler and MKL   Matthias
• [CP2K:2306] Re: CP2K build with Intel Compiler and MKL   Ondrej Marsalek
• different basis set for the same element   Nguyen Ngoc Ha
• CP2K build with Intel Compiler and MKL   Axel Kohlmeyer
• different basis set for the same element   Axel Kohlmeyer
• [CP2K:2311] Re: different basis set for the same element   Nguyen Ngoc Ha
• [CP2K:2312] Re: different basis set for the same element   Ondrej Marsalek
• [CP2K:2312] Re: different basis set for the same element   Teodoro Laino
• different basis set for the same element   Axel Kohlmeyer
• [CP2K:2315] Re: different basis set for the same element   Nguyen Ngoc Ha
• so confusing output setting   Dong
• so confusing output setting   flo
• [CP2K:2317] so confusing output setting   Laino Teodoro
• [CP2K:2319] Re: so confusing output setting   Liu
• conservation of Cons Qty in NVT ensemble   Anna Pavlova

Last message date: Tue Sep 29 13:32:31 UTC 2009
Archived on: Thu Mar 3 11:47:26 UTC 2022

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