December 2010 Archives by thread

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Starting: Wed Dec 1 01:03:58 CET 2010
Ending: Fri Dec 31 17:50:27 CET 2010
Messages: 218

• [Pw_forum] point charge-spin   David Grifith
  • [Pw_forum] point charge-spin   Gabriele Sclauzero
  • [Pw_forum] point charge-spin   Giovanni La Penna
    • [Pw_forum] point charge-spin   Stefano de Gironcoli
      • [Pw_forum] point charge-spin   Giovanni La Penna
• [Pw_forum] Non-collinear calculations: magnetic moment relaxation   Lukashev Pavel
  • [Pw_forum] Non-collinear calculations: magnetic moment relaxation   Gabriele Sclauzero
  • [Pw_forum] Non-collinear calculations: magnetic moment relaxation   Lukashev Pavel
  • [Pw_forum] Non-collinear calculations: magnetic moment relaxation   Gabriele Sclauzero
  • [Pw_forum] Non-collinear calculations: magnetic moment relaxation   Andrea Dal Corso
• [Pw_forum] error   george manyali
  • [Pw_forum] error   Paolo Giannozzi
• [Pw_forum] Example 12 (W2AGZ)   W2AGZ
  • [Pw_forum] Example 12 (W2AGZ)   Gabriele Sclauzero
  • [Pw_forum] Example 12 (W2AGZ)   Lorenzo Paulatto
  • [Pw_forum] point charge-spin   David Grifith
• [Pw_forum] Example 12   Miguel Martínez
• [Pw_forum] pw2wannier fails to deal with USP   soroush pakseresht
  • [Pw_forum] pw2wannier fails to deal with USP   Lorenzo Paulatto
    • [Pw_forum] pw2wannier fails to deal with USP   soroush pakseresht
• [Pw_forum] q2r and electron-phonon interaction   Paolo Giannozzi
  • [Pw_forum] q2r and electron-phonon interaction   sama at ns.dcci.unipi.it
• [Pw_forum] wannier function   wumindt2
• [Pw_forum] a small code for calculating reaction rate (for share)   lfhuang
• [Pw_forum] Fermi level in DOS   JAIME GUSTAVO RODRIGUEZ ZAVALA
  • [Pw_forum] Fermi level in DOS   Lorenzo Paulatto
• [Pw_forum] Measure units in electron-phonon interaction   sama at ns.dcci.unipi.it
  • [Pw_forum] Measure units in electron-phonon interaction   Paolo Giannozzi
  • [Pw_forum] Measure units in electron-phonon interaction   sama at ns.dcci.unipi.it
  • [Pw_forum] Oxygen molecule binding energy   elbuesta at icqmail.com
  • [Pw_forum] Oxygen molecule binding energy   Nicola Marzari
  • [Pw_forum] Oxygen molecule binding energy   Stefano de Gironcoli
  • [Pw_forum] Oxygen molecule binding energy   Sandro Scandolo
  • [Pw_forum] Oxygen molecule binding energy   Tram Bui
  • [Pw_forum] Oxygen molecule binding energy   Eyvaz Isaev
• [Pw_forum] i have a problem with pseudofiles converted from fhi98PP code   patriot pershing
  • [Pw_forum] cohesive energy of tungsten   vicky singh
    • [Pw_forum] cohesive energy of tungsten   mohnish pandey
    • [Pw_forum] cohesive energy of tungsten   Gabriele Sclauzero
    • [Pw_forum] cohesive energy of tungsten   vicky singh
    • [Pw_forum] cohesive energy of tungsten   Gabriele Sclauzero
    • [Pw_forum] cohesive energy of tungsten   vicky singh
    • [Pw_forum] cohesive energy of tungsten   Paolo Giannozzi
    • [Pw_forum] cohesive energy of tungsten   vicky singh
    • [Pw_forum] cohesive energy of tungsten   Paolo Giannozzi
    • [Pw_forum] openmp in 4.2.1   Timothy Cale
    • [Pw_forum] openmp in 4.2.1   Paolo Giannozzi
    • [Pw_forum] Model pseudopotential   Mahmoud Payami
    • [Pw_forum] Model pseudopotential   Paolo Giannozzi
    • [Pw_forum] Model pseudopotential   Mahmoud Payami
• [Pw_forum] HSE   ali kazempour
  • [Pw_forum] HSE   Jan Felix Binder
• [Pw_forum] AlN   Forough Kalantary
• [Pw_forum] iotk error - again   W2AGZ
  • [Pw_forum] iotk error - again   Paolo Giannozzi
  • [Pw_forum] iotk error - again   W2AGZ
  • [Pw_forum] How to calculate DOS by Hybrid functionals.   Rolf Öttking
    • [Pw_forum] How to calculate DOS by Hybrid functionals.   Stefano de Gironcoli
  • [Pw_forum] nstep not honored in vc-md   Steve Schmerler
    • [Pw_forum] nstep not honored in vc-md   Paolo Giannozzi
    • [Pw_forum] nstep not honored in vc-md   Steve Schmerler
    • [Pw_forum] nstep not honored in vc-md   Paolo Giannozzi
    • [Pw_forum] nstep not honored in vc-md   Steve Schmerler
• [Pw_forum] hi,effect of temperature   Mahdi Mirnezhad
  • [Pw_forum] hi,effect of temperature   Eyvaz Isaev
    • [Pw_forum] Total energy convergence   mayank gupta
    • [Pw_forum] Total energy convergence   Eyvaz Isaev
• [Pw_forum] QE and mpich2, Linux   ac.rain at inbox.com
  • [Pw_forum] QE and mpich2, Linux   Paolo Giannozzi
  • [Pw_forum] QE and mpich2, Linux   ac.rain at inbox.com
  • [Pw_forum] QE and mpich2, Linux   Paolo Giannozzi
  • [Pw_forum] QE and mpich2, Linux   ac.rain at inbox.com
  • [Pw_forum] QE and mpich2, Linux   Gabriele Sclauzero
  • [Pw_forum] QE and mpich2, Linux   Paolo Giannozzi
  • [Pw_forum] QE and mpich2, Linux   Gabriele Sclauzero
  • [Pw_forum] QE and mpich2, Linux   ac.rain at inbox.com
  • [Pw_forum] QE and mpich2, Linux   Paolo Giannozzi
• [Pw_forum] band_structure_alloys   Battal Gazi YALÇIN
  • [Pw_forum] band_structure_alloys   nazari at iasbs.ac.ir
    • [Pw_forum] band_structure_alloys   Eyvaz Isaev
      • [Pw_forum] band_structure_alloys   Gabriele Sclauzero
    • [Pw_forum] speed becomes very slow after some electronic or ionic relaxation cycles   mohnish pandey
      • [Pw_forum] speed becomes very slow after some electronic or ionic relaxation cycles   Gabriele Sclauzero
• [Pw_forum] GIPAW and updates?   Gregor Mali
  • [Pw_forum] GIPAW and updates?   Emine Kucukbenli
  • [Pw_forum] Restarting nscf calculations   Eduardo Ariel Menendez Proupin
    • [Pw_forum] Restarting nscf calculations   Paolo Giannozzi
    • [Pw_forum] hi,effect of temperature   Eduardo Ariel Menendez Proupin
  • [Pw_forum] Phonon Calculation   mayank gupta
• [Pw_forum] How to estimate the memory requirement of ph.x?   lfhuang
  • [Pw_forum] How to estimate the memory requirement of ph.x?   Paolo Giannozzi
  • [Pw_forum] gdir value   Elie Moujaes
    • [Pw_forum] gdir value   Paolo Giannozzi
• [Pw_forum] wannier function   wumindt2
  • [Pw_forum] wannier function   Nicola Marzari
• [Pw_forum] Ghost States   Phillip Nyawere
  • [Pw_forum] Ghost States   George Amolo
• [Pw_forum] Ghost States   Emine Kucukbenli
  • [Pw_forum] Lowdin Charge- sign   David Grifith
    • [Pw_forum] Lowdin Charge- sign   Heather Kulik
• [Pw_forum] example07...again   W2AGZ
  • [Pw_forum] example07...again   Paolo Giannozzi
  • [Pw_forum] example07...again   Eyvaz Isaev
  • [Pw_forum] example07...again   Eyvaz Isaev
    • [Pw_forum] example07...again   W2AGZ
      • [Pw_forum] example07...again   Eyvaz Isaev
• [Pw_forum] How to estimate the memory requirement of ph.x?   lfhuang
  • [Pw_forum] Lowdin Charge- sign   David Grifith
    • [Pw_forum] Lowdin Charge- sign   Stefano de Gironcoli
      • [Pw_forum] q2r and electron-phonon interaction   Paolo Giannozzi
      • [Pw_forum] Lowdin Charge - sign   David Grifith
  • [Pw_forum] Problem in Finding x.kpath file in pwtools   priyanka goud
    • [Pw_forum] Problem in Finding x.kpath file in pwtools   nazari at iasbs.ac.ir
      • [Pw_forum] Problem in Finding x.kpath file in pwtools   Paolo Giannozzi
• [Pw_forum] Problem in Finding x.kpath file in pwtools   改王之王改王之王
  • [Pw_forum] Problem in Finding x.kpath file in pwtools   Gabriele Sclauzero
  • [Pw_forum] kpoints along sym directions in k-lattice of hexagonal, valence and core charge density in atomic code ?   sonu kumar
  • [Pw_forum] Bilayer graphene subject to an electric field   Elie Moujaes
    • [Pw_forum] Bilayer graphene subject to an electric field   Eyvaz Isaev
      • [Pw_forum] Bilayer graphene subject to an electric field   Elie Moujaes
    • [Pw_forum] modeling junction with Q.E   chaou oum
  • [Pw_forum] electron configuration of Ni   Masoud Nahali
    • [Pw_forum] electron configuration of Ni   Heather Kulik
• [Pw_forum] electron configuration of Ni   Masoud Nahali
  • [Pw_forum] electron configuration of Ni   Paolo Giannozzi
  • [Pw_forum] Electron sharing by PW calculations   Giovanni La Penna
• [Pw_forum] Broken degeneracy using B3LYP   Jeremy McMinis
  • [Pw_forum] Broken degeneracy using B3LYP   Lorenzo Paulatto
  • [Pw_forum] SCF loop fails to converge when tefield is switched on   soroush pakseresht
    • [Pw_forum] SCF loop fails to converge when tefield is switched on   Paolo Giannozzi
      • [Pw_forum] SCF loop fails to converge when tefield is switched on   soroush pakseresht
      • [Pw_forum] SCF loop fails to converge when tefield is switched on   Lorenzo Paulatto
      • [Pw_forum] SCF loop fails to converge when tefield is switched on   soroush pakseresht
  • [Pw_forum] lattice parameter of Co   vicky singh
    • [Pw_forum] lattice parameter of Co   vicky singh
    • [Pw_forum] lattice parameter of Co   Giuseppe Mattioli
  • [Pw_forum] Band structure of non-metallic antiferromagnet   Silvia Bahmann
    • [Pw_forum] Band structure of non-metallic antiferromagnet   Paolo Giannozzi
    • [Pw_forum] Band structure of non-metallic antiferromagnet   Paolo Giannozzi
• [Pw_forum] Problems with generation of GGA pseudopotential for Rb   Natalia Pavlenko
  • [Pw_forum] NEB Calculation with Ti and Graphene   Ettore Baldini Neto
  • [Pw_forum] NEB Calculation with Ti and Graphene   Eyvaz Isaev
  • [Pw_forum] NEB Calculation with Ti and Graphene   Ettore Baldini Neto
  • [Pw_forum] NEB Calculation with Ti and Graphene   Eyvaz Isaev
  • [Pw_forum] NEB Calculation with Ti and Graphene   Ettore Baldini Neto
  • [Pw_forum] NEB Calculation with Ti and Graphene   Eyvaz Isaev
• [Pw_forum] nelec   W2AGZ
  • [Pw_forum] nelec   Paolo Giannozzi
• [Pw_forum] potential parameter   Sohail Ahmad
• [Pw_forum] Request   Thaneshwor Kaloni
  • [Pw_forum] Request   Eyvaz Isaev
• [Pw_forum] Request   yabraham2 at gmail.com
• [Pw_forum] Oxygen adsorption on graphene   مهدی
• [Pw_forum] Oxygen adsorption on graphene   Masoud Nahali
• [Pw_forum] About the method to obtain the common tangent for determing the phase transition pressure.   红生 赵
  • [Pw_forum] About the method to obtain the common tangent for determing the phase transition pressure.   Stefano Baroni
• [Pw_forum] wannier calculation   wumindt2
  • [Pw_forum] wannier calculation   soroush pakseresht
• [Pw_forum] set_irr sets incorrect npert when trans=.false. and elph=.true.   Alaska Subedi
  • [Pw_forum] set_irr sets incorrect npert when trans=.false. and elph=.true.   Andrea Dal Corso
    • [Pw_forum] set_irr sets incorrect npert when trans=.false. and elph=.true.   Alaska Subedi
• [Pw_forum] calculation for system having number of different species greater than 10   mohnish pandey
  • [Pw_forum] calculation for system having number of different species greater than 10   Eyvaz Isaev
    • [Pw_forum] calculation for system having number of different species greater than 10   mohnish pandey
      • [Pw_forum] topological analysis(critic)   nazari at iasbs.ac.ir
      • [Pw_forum] topological analysis(critic)   Eyvaz Isaev
      • [Pw_forum] topological analysis(critic)   nazari at iasbs.ac.ir
      • [Pw_forum] topological analysis(critic)   Eyvaz Isaev
      • [Pw_forum] topological analysis(critic)   Eyvaz Isaev
  • [Pw_forum] cluster*.in tests fail with PAW and ifort -xHost   Steve Schmerler
• [Pw_forum] installation problem   Ranjit Thapa
  • [Pw_forum] installation problem   Paolo Giannozzi
• [Pw_forum] mechanical properties   Mahdi Mirnezhad
  • [Pw_forum] mechanical properties   Mehmet Topsakal
• [Pw_forum] mechanical properties   lfhuang
  • [Pw_forum] not running in node   Ranjit Thapa
    • [Pw_forum] not running in node   Paolo Giannozzi
    • [Pw_forum] not running in node   Oleg Sergeev
      • [Pw_forum] Inconsistencies in the CELL_PARAMETERS - ibrav=5   Marino Vetuschi Zuccolini
      • [Pw_forum] Inconsistencies in the CELL_PARAMETERS - ibrav=5   Stefano de Gironcoli
      • [Pw_forum] Inconsistencies in the CELL_PARAMETERS - ibrav=5   Marino Vetuschi Zuccolini
      • [Pw_forum] Inconsistencies in the CELL_PARAMETERS - ibrav=5   Stefano de Gironcoli
      • [Pw_forum] Inconsistencies in the CELL_PARAMETERS - ibrav=5   Marino Vetuschi Zuccolini
      • [Pw_forum] Inconsistencies in the CELL_PARAMETERS - ibrav=5   Stefano de Gironcoli
      • [Pw_forum] Inconsistencies in the CELL_PARAMETERS - ibrav=5   Stefano de Gironcoli
      • [Pw_forum] Inconsistencies in the CELL_PARAMETERS - ibrav=5   Marino Vetuschi Zuccolini
  • [Pw_forum] ion_radius   Riping WANG
    • [Pw_forum] ion_radius   Paolo Giannozzi
• [Pw_forum] how does the calculation scales with number of processors   mohnish pandey
  • [Pw_forum] how does the calculation scales with number of processors   Stefano de Gironcoli
    • [Pw_forum] how does the calculation scales with number of processors   mohnish pandey
      • [Pw_forum] how does the calculation scales with number of processors   Paolo Giannozzi
• [Pw_forum] Merry Christmas   jiayudai
• [Pw_forum] About the difference between the energy obtained from geometry optimization and single energy calculation.   Hongsheng Zhao
  • [Pw_forum] About the difference between the energy obtained from geometry optimization and single energy calculation.   Prasenjit Ghosh
• [Pw_forum] About the relationship between enthalpy and pressure.   Hongsheng Zhao
  • [Pw_forum] About the relationship between enthalpy and pressure.   Stefano de Gironcoli
• [Pw_forum] On the doping modeling.   Hongsheng Zhao
• [Pw_forum] Pw_forum Digest, Vol 42, Issue 43   Riping WANG
  • [Pw_forum] ion_radius ------------- WAS Re: Pw_forum Digest, Vol 42, Issue 43   Stefano de Gironcoli
• [Pw_forum] elastic properties   kada galami
  • [Pw_forum] elastic properties   Eyvaz Isaev
    • [Pw_forum] elastic properties   kada galami
      • [Pw_forum] elastic properties   Stefano de Gironcoli
      • [Pw_forum] elastic properties   Eyvaz Isaev
• [Pw_forum] wannier function   wumindt2
  • [Pw_forum] wannier function   soroush pakseresht
• [Pw_forum] Reference of example07 (version 4.2.1)   Xiang-FengZhou
  • [Pw_forum] Reference of example07 (version 4.2.1)   Eyvaz Isaev
  • [Pw_forum] WanT   Mansoureh Pashangpour
• [Pw_forum] Bulk Modulus calculation   Tram Bui
  • [Pw_forum] Bulk Modulus calculation   Duy Le
• [Pw_forum] WanT (fwd)   Andrea Ferretti
• [Pw_forum] Reference of example07 (version 4.2.1) (Eyvaz Isaev)   Xiang-FengZhou
  • [Pw_forum] Reference of example07 (version 4.2.1) (Eyvaz Isaev)   Eyvaz Isaev
    • [Pw_forum] Reference of example07 (version 4.2.1) (Eyvaz Isaev)   Vo, Trinh (388C)
      • [Pw_forum] Reference of example07 (version 4.2.1) (Eyvaz Isaev)   Vo, Trinh (388C)
      • [Pw_forum] Happy New Year   Stefano Baroni

Last message date: Fri Dec 31 17:50:27 CET 2010
Archived on: Fri Dec 31 17:50:47 CET 2010

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