April 2009 Archives by subject

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Starting: Wed Apr 1 17:13:24 UTC 2009
Ending: Thu Apr 30 18:51:07 UTC 2009
Messages: 114

• [CP2K:1938] Negative values of distance point plane   Teodoro Laino
• [CP2K:1940] Re: Negative values of distance point plane   Laino Teodoro
• [CP2K:1943] Re: Negative values of distance point plane   Teodoro Laino
• [CP2K:1943] Re: Negative values of distance point plane   Fawzi Mohamed
• [CP2K:1943] Re: Negative values of distance point plane   Laino Teodoro
• [CP2K:1946] OUTER_SCF   Jörg Saßmannshausen
• [CP2K:1948] Re: OUTER_SCF   Fawzi Mohamed
• [CP2K:1951] Re: Negative values of distance point plane   Teodoro Laino
• [CP2K:1951] Re: Negative values of distance point plane   Teodoro Laino
• [CP2K:1955] bond problem   Juerg Hutter
• [CP2K:1957] Re: bond problem   John
• [CP2K:1958] Re: bond problem   Laino Teodoro
• [CP2K:1961] energy unit in electrostatic potential cube file   Teodoro Laino
• [CP2K:1962] Re: energy unit in electrostatic potential cube file   Hanning Chen
• [CP2K:1963] Re: compilation on a power5   Marius Retegan
• [CP2K:1964] Geometry Optimisation / Frequency (general question)   Teodoro Laino
• [CP2K:1965] Re: Geometry Optimisation / Frequency (general question)   Jörg Saßmannshausen
• [CP2K:1966] Re: Geometry Optimisation / Frequency (general question)   Laino Teodoro
• [CP2K:1969] Re: compilation on a power5   Marius Retegan
• [CP2K:1971] Re: Negative values of distance point plane   Teodoro Laino
• [CP2K:1973] Re: compilation on a power5   Marius Retegan
• [CP2K:1974] Re: compilation on a power5   Teodoro Laino
• [CP2K:1979] Re: Data output from CP2K   Teodoro Laino
• [CP2K:1980] Re: Data output from CP2K   Ondrej Marsalek
• [CP2K:1981] counter charge   Teodoro Laino
• [CP2K:1981] counter charge   Teodoro Laino
• [CP2K:1988] Reftraj ensemble   Teodoro Laino
• [CP2K:1989] Re: Reftraj ensemble   Ondrej Marsalek
• [CP2K:1990] Re: Reftraj ensemble   Teodoro Laino
• [CP2K:1990] Re: Reftraj ensemble   Teodoro Laino
• [CP2K:1992] Re: Reftraj ensemble   Ondrej Marsalek
• [CP2K:1996] electron density cube file after DFTB   Juerg Hutter
• [CP2K:1997] Problem in building cp2k with libint   Jörg Saßmannshausen
• [CP2K:2000] Re: Problem in building cp2k with libint   alexander sax
• [CP2K:2003] timestep for REAL_TIME_PROPAGATION   Juerg Hutter
• [CP2K:2004] Re: timestep for REAL_TIME_PROPAGATION   Hanning Chen
• [CP2K:2005] Re: counter charge   Jun Cheng
• [CP2K:2008] Re: derivation method for second_derivative of XC functionals   Hanning Chen
• [CP2K:2009] operatable finite field   Juerg Hutter
• [CP2K:2010] Re: derivation method for second_derivative of XC functionals   Hanning Chen
• [CP2K:2013] Re: derivation method for second_derivative of XC functionals   Juerg Hutter
• [CP2K:2014] TDDFPT excitation energy output   李福君
• [CP2K:2015] Re: TDDFPT excitation energy output   Hanning Chen
• [CP2K:2016] Re: TDDFPT excitation energy output   李福君
• [CP2K:2018] Re: electron density cube file after DFTB   Juerg Hutter
• [CP2K:2022] Re: derivation method for second_derivative of XC functionals   Hanning Chen
• [CP2K:2025] Re: counter charge   Laino Teodoro
• [CP2K:2027] visual approach to construction of QMMM input   Teodoro Laino
• [CP2K:2029] Re: visual approach to construction of QMMM input   Laino Teodoro
• [CP2K:2030] Re: derivation method for second_derivative of XC functionals   Juerg Hutter
• [CP2K:2037] optimisation problem of F compound   Fawzi Mohamed
• [CP2K:2038] Re: optimisation problem of F compound   Jörg Saßmannshausen
• [CP2K:2039] Re: optimisation problem of F compound   Fawzi Mohamed
• [CP2K:2040] Re: optimisation problem of F compound   Jörg Saßmannshausen
• [CP2K:2042] Re: optimisation problem of F compound   Jörg Saßmannshausen
• [CP2K:2043] Re: optimisation problem of F compound   Fawzi Mohamed
• [CP2K:2044] Re: optimisation problem of F compound   Fawzi Mohamed
• [CP2K:2050] Re: ROKS input   Hanning Chen
• bond problem   John
• bond problem   Axel
• compilation on a power5   Marius Retegan
• compilation on a power5   Axel
• compilation on a power5   Matt W
• compilation on a power5   Matt W
• compilation on a power5   Axel
• compilation on a power5   Matt W
• compilation on CRAY-X2   Jun
• counter charge   Jun
• counter charge   Jun
• counter charge   Axel
• counter charge   Jun
• counter charge   Jun
• CUDA build   Ben Levine
• Data output from CP2K   Ondrej Marsalek
• derivation method for second_derivative of XC functionals   Hanning Chen
• derivation method for second_derivative of XC functionals   Axel
• derivation method for second_derivative of XC functionals   Axel
• electron density cube file after DFTB   Hanning Chen
• electron density cube file after DFTB   Bálint Aradi
• electron density cube file after DFTB   Bálint Aradi
• energy unit in electrostatic potential cube file   NUCP2K
• Geometry Optimisation / Frequency (general question)   Jörg Saßmannshausen
• Negative values of distance point plane   Daniel_M
• Negative values of distance point plane   Daniel_M
• Negative values of distance point plane   Daniel_M
• Negative values of distance point plane   Daniel_M
• Negative values of distance point plane   Daniel_M
• Negative values of distance point plane   Daniel_M
• operatable finite field   Hanning Chen
• operatable finite field   Axel
• optimisation problem of F compound   Jörg Saßmannshausen
• optimisation problem of F compound   Axel
• OUTER_SCF   marc
• OUTER_SCF   flo
• OUTER_SCF   marc
• Periodic calculations with non-periodic solutions   Andy Van Yperen-De Deyne
• Periodic calculations with non-periodic solutions   Matt W
• Printing the Molecular Orbitals   aarondesk
• Printing the Molecular Orbitals   aarondesk
• Printing the Molecular Orbitals   Axel
• Printing the Molecular Orbitals   aarondesk
• Problem in building cp2k with libint   afs
• Problem in building cp2k with libint   Axel
• pseudopotential generation error by atom.x   Hanning Chen
• pseudopotential generation error by atom.x   Matthias Krack
• Reftraj ensemble   Ondrej Marsalek
• ROKS input   Hanning Chen
• ROKS input   Matthias Krack
• TDDFPT excitation energy output   Hanning Chen
• timestep for REAL_TIME_PROPAGATION   Hanning Chen
• timestep for REAL_TIME_PROPAGATION   flo
• tutorial for GTH pseudopotential and basis set generator   Hanning Chen
• visual approach to construction of QMMM input   Peter
• visual approach to construction of QMMM input   Peter

Last message date: Thu Apr 30 18:51:07 UTC 2009
Archived on: Thu Mar 3 11:47:25 UTC 2022

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