January 2011 Archives by thread

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Starting: Sat Jan 1 05:45:27 CET 2011
Ending: Mon Jan 31 21:51:57 CET 2011
Messages: 224

• [Pw_forum] Happy New Year   Prasenjit Ghosh
• [Pw_forum] atomic positions   Abolore Musari
  • [Pw_forum] atomic positions   Duy Le
  • [Pw_forum] atomic positions   Abolore Musari
  • [Pw_forum] atomic positions   Eyvaz Isaev
• [Pw_forum] WanT (fwd)   Mansoureh Pashangpour
• [Pw_forum] PlotPhon Questions   W2AGZ
• [Pw_forum] wannier function   wumindt2
• [Pw_forum] About Electron-Phonon Coupling matrix element in QE4.2.1   程迎春
  • [Pw_forum] About Electron-Phonon Coupling matrix element in QE4.2.1   Eyvaz Isaev
    • [Pw_forum] About Electron-Phonon Coupling matrix element in QE4.2.1   程迎春
      • [Pw_forum] About Electron-Phonon Coupling matrix element in QE4.2.1   Eyvaz Isaev
    • [Pw_forum] About Electron-Phonon Coupling matrix element in QE4.2.1   Eyvaz Isaev
• [Pw_forum] Bulk Modulus Calculation   Tram Bui
  • [Pw_forum] Bulk Modulus Calculation   William Parker
  • [Pw_forum] Bulk Modulus Calculation   Duy Le
• [Pw_forum] Bulk Modulus Calculation   Eyvaz Isaev
  • [Pw_forum] spin polarized insulator   S. K. S.
• [Pw_forum] about pw2casino   mohaddeseh abbasnejad
  • [Pw_forum] about pw2casino   Gabriele Sclauzero
• [Pw_forum] installation problem in Quantum espresso   kanchan sonkar
  • [Pw_forum] installation problem in Quantum espresso   Paolo Giannozzi
  • [Pw_forum] installation problem in Quantum espresso   Duy Le
• [Pw_forum] Dispersion Correction   TAE BUM LEE
  • [Pw_forum] Dispersion Correction   Daniel Forrer
    • [Pw_forum] Measure units in electron-phonon interaction   Paolo Giannozzi
• [Pw_forum] volume discrepancy when adjusting (ecfixed, q2sigma, qcurtz)   Riping WANG
  • [Pw_forum] Conservation of projected phonon DOS   Chen Li
    • [Pw_forum] Conservation of projected phonon DOS   Eyvaz Isaev
• [Pw_forum] Problems with generation of projected DOS by projwfc.x   Natalia Pavlenko
  • [Pw_forum] Problems with generation of projected DOS by projwfc.x   Eyvaz Isaev
• [Pw_forum] Absolute magnetization and Total magnatization   nazari at iasbs.ac.ir
  • [Pw_forum] Absolute magnetization and Total magnatization   Paolo Giannozzi
• [Pw_forum] Problems with generation of projected DOS by projwfc.x   lfhuang
  • [Pw_forum] Problems with generation of projected DOS by projwfc.x   Paolo Giannozzi
  • [Pw_forum] Problems with generation of projected DOS by projwfc.x   Natalia Pavlenko
  • [Pw_forum] Problems with generation of projected DOS by projwfc.x   Paolo Giannozzi
  • [Pw_forum] Error during optimization   Fen Hong
    • [Pw_forum] Error during optimization   Paolo Giannozzi
    • [Pw_forum] Error during optimization   Fen Hong
    • [Pw_forum] Error during optimization   Stefano Baroni
    • [Pw_forum] Error during optimization   Fen Hong
    • [Pw_forum] Error during optimization   Gabriele Sclauzero
• [Pw_forum] PlotPhon Problems   W2AGZ
  • [Pw_forum] PlotPhon Problems   Eyvaz Isaev
    • [Pw_forum] PlotPhon Problems   W2AGZ
      • [Pw_forum] PlotPhon Problems   Eyvaz Isaev
• [Pw_forum] strange failures of cp.x with LDA+U on ibm sp6   Giuseppe Mattioli
• [Pw_forum] generating kpath using xcrysden   priyanka goud
  • [Pw_forum] generating kpath using xcrysden   Gabriele Sclauzero
  • [Pw_forum] generating kpath using xcrysden   Ettore Baldini Neto
  • [Pw_forum] generating kpath using xcrysden   Gabriele Sclauzero
• [Pw_forum] (no subject)   priyanka goud
• [Pw_forum] spin-polarized results error   Fen Hong
  • [Pw_forum] spin-polarized results error   Giuseppe Mattioli
    • [Pw_forum] spin-polarized results error   Gabriele Sclauzero
• [Pw_forum] anti-ferromagnetic calculations   Padmaja Patnaik
  • [Pw_forum] anti-ferromagnetic calculations   Shruba Gangopadhyay
  • [Pw_forum] anti-ferromagnetic calculations   mohnish pandey
    • [Pw_forum] anti-ferromagnetic calculations   Paolo Giannozzi
    • [Pw_forum] anti-ferromagnetic calculations   Eyvaz Isaev
• [Pw_forum] van der Waals density functional   WANG Wei
  • [Pw_forum] van der Waals density functional   Giuseppe Mattioli
    • [Pw_forum] van der Waals density functional   lan haiping
    • [Pw_forum] van der Waals density functional   WANG Wei
    • [Pw_forum] van der Waals density functional   Michael Sullivan
    • [Pw_forum] van der Waals density functional   Jose C. Conesa
    • [Pw_forum] van der Waals density functional   Riccardo Sabatini
    • [Pw_forum] van der Waals density functional   WANG Wei
  • [Pw_forum] correspondence between diagonal elements of the occupation matrix and atomic d-orbitals   Ricardo Faccio
    • [Pw_forum] correspondence between diagonal elements of the occupation matrix and atomic d-orbitals   Matteo Cococcioni
    • [Pw_forum] correspondence between diagonal elements of the occupation matrix and atomic d-orbitals   Ricardo Faccio
  • [Pw_forum] atomic displacement when calculating phonon freq   pieremanuele canepa
    • [Pw_forum] atomic displacement when calculating phonon freq   Lorenzo Paulatto
      • [Pw_forum] atomic displacement when calculating phonon freq   Prasenjit Ghosh
      • [Pw_forum] atomic displacement when calculating phonon freq   Serge Nakhmanson
• [Pw_forum] limit on atom count to compute total energy   sakthi kumaran
  • [Pw_forum] limit on atom count to compute total energy   Michael Sullivan
  • [Pw_forum] limit on atom count to compute total energy   sakthi kumaran
  • [Pw_forum] limit on atom count to compute total energy   Huiqun Zhou
  • [Pw_forum] limit on atom count to compute total energy   Giovanni La Penna
  • [Pw_forum] limit on atom count to compute total energy   Nicolas Bock
• [Pw_forum] anharmonic linewidths after d3 run   matthieu verstraete
• [Pw_forum] missing imaginary frequencies   Andrea Salguero
  • [Pw_forum] missing imaginary frequencies   Eyvaz Isaev
    • [Pw_forum] missing imaginary frequencies   Andrea Salguero
      • [Pw_forum] missing imaginary frequencies   Paolo Giannozzi
      • [Pw_forum] missing imaginary frequencies   Serge Nakhmanson
      • [Pw_forum] missing imaginary frequencies   Eyvaz Isaev
      • [Pw_forum] missing imaginary frequencies   Andrea Salguero
• [Pw_forum] How to calculate magnetization density when SOC is on   soroush pakseresht
  • [Pw_forum] How to calculate magnetization density when SOC is on   Gabriele Sclauzero
    • [Pw_forum] How to calculate magnetization density when SOC is on   Andrea Dal Corso
      • [Pw_forum] How to calculate magnetization density when SOC is on   soroush pakseresht
      • [Pw_forum] How to calculate magnetization density when SOC is on   Andrea Dal Corso
      • [Pw_forum] How to calculate magnetization density when SOC is on   soroush pakseresht
      • [Pw_forum] How to calculate magnetization density when SOC is on   Andrea Dal Corso
      • [Pw_forum] How to calculate magnetization density when SOC is on   soroush pakseresht
• [Pw_forum] van der waals   Mahdi Mirnezhad
  • [Pw_forum] elastic constant calculations   pikee priya
    • [Pw_forum] elastic constant calculations   xirainbow
    • [Pw_forum] elastic constant calculations   Phillip Nyawere
• [Pw_forum] van der waals   Masoud Nahali
  • [Pw_forum] “Effective charge" of antiferromagnetic state   xirainbow
• [Pw_forum] frequencies using finite differences instead of perturbation theory?   Martin Andersson
• [Pw_forum] Mean Square Displacement (MSD) of atoms   Bertrand SITAMTZE
  • [Pw_forum] Mean Square Displacement (MSD) of atoms   Changru Ma
  • [Pw_forum] Mean Square Displacement (MSD) of atoms   Bertrand SITAMTZE
  • [Pw_forum] Mean Square Displacement (MSD) of atoms   Giovanni La Penna
  • [Pw_forum] Mean Square Displacement (MSD) of atoms   Bertrand SITAMTZE
  • [Pw_forum] Mean Square Displacement (MSD) of atoms   Giovanni La Penna
  • [Pw_forum] Mean Square Displacement (MSD) of atoms   Bertrand SITAMTZE
  • [Pw_forum] Mean Square Displacement (MSD) of atoms   Changru Ma
• [Pw_forum] pseudopotential generation warning: wfc 5 2 not converged   Fen Hong
  • [Pw_forum] pseudopotential generation warning: wfc 5 2 not converged   Paolo Giannozzi
  • [Pw_forum] pseudopotential generation warning: wfc 5 2 not converged   Fen Hong
  • [Pw_forum] pseudopotential generation warning: wfc 5 2 not converged   Paolo Giannozzi
  • [Pw_forum] The total magnetization of Au atom is 0? what's wrong?   Fen Hong
    • [Pw_forum] The total magnetization of Au atom is 0? what's wrong?   Giuseppe Mattioli
    • [Pw_forum] The total magnetization of Au atom is 0? what's wrong?   Fen Hong
• [Pw_forum] Wrong effective charges in AFM insulator using "zue"   xirainbow
  • [Pw_forum] Wrong effective charges in AFM insulator using "zue"   Andrea Dal Corso
    • [Pw_forum] Wrong effective charges in AFM insulator using "zue"   S. K. S.
      • [Pw_forum] Wrong effective charges in AFM insulator using "zue"   Andrea Dal Corso
    • [Pw_forum] Wrong effective charges in AFM insulator using "zue"   xirainbow
      • [Pw_forum] Wrong effective charges in AFM insulator using "zue"   Andrea Dal Corso
      • [Pw_forum] Wrong effective charges in AFM insulator using "zue"   xirainbow
      • [Pw_forum] Wrong effective charges in AFM insulator using "zue"   Paolo Giannozzi
      • [Pw_forum] Wrong effective charges in AFM insulator using "zue"   xirainbow
      • [Pw_forum] Wrong effective charges in AFM insulator using "zue"   Paolo Giannozzi
  • [Pw_forum] Ferromagnetic Insulator is the Ground State   S. K. S.
    • [Pw_forum] Ferromagnetic Insulator is the Ground State   Andrea Dal Corso
  • [Pw_forum] a question about MnSe   mohnish pandey
    • [Pw_forum] a question about MnSe   Duy Le
      • [Pw_forum] a question about MnSe   mohnish pandey
    • [Pw_forum] a question about MnSe   Mike Mehl
      • [Pw_forum] a question about MnSe   mohnish pandey
      • [Pw_forum] a question about MnSe   Mike Mehl
      • [Pw_forum] a question about MnSe   mohnish pandey
    • [Pw_forum] a question about MnSe   jia chen
      • [Pw_forum] a question about MnSe   Lorenzo Paulatto
      • [Pw_forum] a question about MnSe   mohnish pandey
      • [Pw_forum] a question about MnSe   Prasenjit Ghosh
      • [Pw_forum] a question about MnSe   mohnish pandey
      • [Pw_forum] a question about MnSe   Duy Le
      • [Pw_forum] a question about MnSe   mohnish pandey
      • [Pw_forum] a question about MnSe   Duy Le
    • [Pw_forum] a question about MnSe   Paolo Giannozzi
      • [Pw_forum] a question about MnSe   mohnish pandey
      • [Pw_forum] a question about MnSe   Paolo Giannozzi
      • [Pw_forum] a question about MnSe   mohnish pandey
      • [Pw_forum] a question about MnSe   Paolo Giannozzi
      • [Pw_forum] a question about MnSe   Duy Le
  • [Pw_forum] big calculations   José Alberto Pires Fernandes
    • [Pw_forum] big calculations   Nicola Marzari
• [Pw_forum] Oxygen adsorption on graphene   Mahdi Faqieh nasiri
  • [Pw_forum] Oxygen adsorption on graphene   Paolo Giannozzi
  • [Pw_forum] big calculations II   Ricardo Faccio
  • [Pw_forum] big calculations II   Giuseppe Mattioli
  • [Pw_forum] big calculations II   Ricardo Faccio
  • [Pw_forum] big calculations II   Paolo Giannozzi
  • [Pw_forum] big calculations II   Ricardo Faccio
  • [Pw_forum] big calculations II   Nicola Marzari
  • [Pw_forum] big calculations II   Ricardo Faccio
  • [Pw_forum] Pw_forum Digest, Vol 43, Issue 37   Bongani Ngwenya
    • [Pw_forum] a question about MnSe (was Pw_forum Digest, Vol 43, Issue 37)   Stefano de Gironcoli
  • [Pw_forum] parallel efficiency for large system   Yuyang Zhang
    • [Pw_forum] parallel efficiency for large system   Paolo Giannozzi
    • [Pw_forum] parallel efficiency for large system   Gabriele Sclauzero
    • [Pw_forum] parallel efficiency for large system   Paolo Giannozzi
    • [Pw_forum] parallel efficiency for large system   Davide Ceresoli
• [Pw_forum] molecular orbital   Farzad Molani
• [Pw_forum] why don't I get an integer magnetization in a finite system   Eduardo Ariel Menendez Proupin
  • [Pw_forum] why don't I get an integer magnetization in a finite system   Paolo Giannozzi
• [Pw_forum] d3.x: Symmetry operation in third-order anharmonic force tensor of Si   Haru Deku
  • [Pw_forum] d3.x: Symmetry operation in third-order anharmonic force tensor of Si   Lorenzo Paulatto
• [Pw_forum] why don't I get an integer magnetization in a finite system   lfhuang
  • [Pw_forum] 60 atom Grain boundary...   Elie Moujaes
    • [Pw_forum] 60 atom Grain boundary...   Paolo Giannozzi
  • [Pw_forum] Raman intensity from dynmat.x   Eduardo Ariel Menendez Proupin
    • [Pw_forum] Raman intensity from dynmat.x   Paolo Giannozzi
• [Pw_forum] 60 atom Grain boundary... (Elie Moujaes)   Haru Deku
  • [Pw_forum] 60 atom Grain boundary... (Elie Moujaes)   Elie Moujaes
• [Pw_forum] 60 atom Grain boundary...   Haruhiko Dekura
• [Pw_forum] help install PWgui   Battal Gazi YALÇIN
  • [Pw_forum] help install PWgui   tone
• [Pw_forum] help install PWgui   Battal Gazi YALÇIN
  • [Pw_forum] help install PWgui   Tone Kokalj
  • [Pw_forum] make.sys for SR11000 supercomputer   WANG Wei
    • [Pw_forum] make.sys for SR11000 supercomputer   Emine Kucukbenli
      • [Pw_forum] make.sys for SR11000 supercomputer   WANG Wei
      • [Pw_forum] make.sys for SR11000 supercomputer   Paolo Giannozzi
• [Pw_forum] help install PWgui   Battal Gazi YALÇIN
  • [Pw_forum] help install PWgui   小S
  • [Pw_forum] help install PWgui   Tone Kokalj
  • [Pw_forum] the files necessary for restarting still go into 'outdir'   S. K. S.
    • [Pw_forum] the files necessary for restarting still go into 'outdir'   Paolo Giannozzi
  • [Pw_forum] Constrained Direction of Magnetization   Sahar Mirshamsi
    • [Pw_forum] Constrained Direction of Magnetization   Gabriele Sclauzero
      • [Pw_forum] Constrained Direction of Magnetization   Sahar Mirshamsi
      • [Pw_forum] Constrained Direction of Magnetization   Gabriele Sclauzero
      • [Pw_forum] Constrained Direction of Magnetization   Sahar Mirshamsi
      • [Pw_forum] Constrained Direction of Magnetization   Sahar Mirshamsi
• [Pw_forum] Constrained Direction of Magnetization   Mighfar Imam
  • [Pw_forum] fully relativistic Ga, As, Mn pseudopotentials   Magdalena Birowska
• [Pw_forum] Fixed volume in high pressure calculations   Wilfredo Ibarra Hernández
  • [Pw_forum] Fixed volume in high pressure calculations   Lorenzo Paulatto
  • [Pw_forum] generating kpoint   Shaptrishi Sharma
    • [Pw_forum] generating kpoint   Duy Le
• [Pw_forum] Constrained Direction of Magnetization   Mighfar Imam
• [Pw_forum] A special thanks to all QEspressoinist   Shruba Gangopadhyay
• [Pw_forum] distributed computing   Farzad Molani
  • [Pw_forum] distributed computing   Paolo Giannozzi
• [Pw_forum] QE and mpich2, Linux   ac.rain at inbox.com
  • [Pw_forum] QE and mpich2, Linux   Paolo Giannozzi
• [Pw_forum] ecutrho and rrkj psp   Davide Sangalli
  • [Pw_forum] ecutrho and rrkj psp   Lorenzo Paulatto
  • [Pw_forum] ecutrho and rrkj psp   Stefano de Gironcoli
    • [Pw_forum] ecutrho and rrkj psp   Paolo Giannozzi
  • [Pw_forum] ecutrho and rrkj psp   Davide Sangalli
    • [Pw_forum] ecutrho and rrkj psp   Stefano de Gironcoli
      • [Pw_forum] Symmetries and Pseudopotentials   Daniel Cellucci
      • [Pw_forum] Symmetries and Pseudopotentials   Paolo Giannozzi
  • [Pw_forum] help with /examples/example03   Amin Torabi

Last message date: Mon Jan 31 21:51:57 CET 2011
Archived on: Mon Jan 31 21:52:23 CET 2011

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