January 2007 Archives by thread

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Starting: Tue Jan 2 06:58:23 CET 2007
Ending: Wed Jan 31 22:49:04 CET 2007
Messages: 193

• [Pw_forum] ask question   wang yanchao
  • [Pw_forum] ask question   Stefano Baroni
  • [Pw_forum] ask question   wang yanchao
    • [Pw_forum] ask question   Stefano Baroni
• [Pw_forum] MD simulations of polar liquids   Nichols A. Romero
  • [Pw_forum] MD simulations of polar liquids   Paul Tangney
    • [Pw_forum] MD simulations of polar liquids   Nichols A. Romero
      • [Pw_forum] MD simulations of polar liquids   Axel Kohlmeyer
• [Pw_forum] ph.x v3.2 on NEC SX-8   Paolo Giannozzi
  • [Pw_forum] ph.x v3.2 on NEC SX-8   wlyim at puccini.che.pitt.edu
    • [Pw_forum] ph.x v3.2 on NEC SX-8   Paolo Giannozzi
      • [Pw_forum] ph.x v3.2 on NEC SX-8   wlyim at puccini.che.pitt.edu
      • [Pw_forum] ph.x v3.2 on NEC SX-8   Axel Kohlmeyer
      • [Pw_forum] ph.x v3.2 on NEC SX-8   Paolo Giannozzi
• [Pw_forum] difference between molecular dynamics of PW and that of CPMD   Lawrence Lee
  • [Pw_forum] difference between molecular dynamics of PW and that of CPMD   Axel Kohlmeyer
• [Pw_forum] average.x   ÇÍÓÇä ÚÑíÞÇÊ
  • [Pw_forum] average.x   Xunlei Ding
  • [Pw_forum] average.x   Axel Kohlmeyer
• [Pw_forum] How does PWSCF deal with charged solids?   xqhu at duke.edu
  • [Pw_forum] How does PWSCF deal with charged solids?   Paolo Giannozzi
• [Pw_forum] Raman Intensity   Yuanxu WANG
• [Pw_forum] NaN   Ezad Shojaee
• [Pw_forum] parallel pw.x memory requirements   Alexander Shaposhnikov
  • [Pw_forum] parallel pw.x memory requirements   Axel Kohlmeyer
  • [Pw_forum] parallel pw.x memory requirements   Paolo Giannozzi
• [Pw_forum] Re: Pw_forum digest, Vol 1 #1296 - 13 msgs   Amit Kumar
• [Pw_forum] Parallelization of diaghg   Alexander Shaposhnikov
  • [Pw_forum] Parallelization of diaghg   Axel Kohlmeyer
    • [Pw_forum] Parallelization of diaghg   Alexander Shaposhnikov
      • [Pw_forum] Parallelization of diaghg   Axel Kohlmeyer
      • [Pw_forum] Parallelization of diaghg   Alexander Shaposhnikov
      • [Pw_forum] Parallelization of diaghg   Paolo Giannozzi
• [Pw_forum] need hints for running pw.x on BG/L   Axel Kohlmeyer
• [Pw_forum] NaN in phonon   Ezad Shojaee
  • [Pw_forum] NaN in phonon   Paolo Giannozzi
  • [Pw_forum] NaN in Phonon   Ezad Shojaee
  • [Pw_forum] NaN in Phonon   Ezad Shojaee
    • [Pw_forum] NaN in Phonon   Paolo Giannozzi
• [Pw_forum] questions on molecular dynamics example   Paolo Giannozzi
• [Pw_forum] about the displacive instabilities   li yan
  • [Pw_forum] about the displacive instabilities   Stefano Baroni
• [Pw_forum] calculating magnetic moment   Rudra
  • [Pw_forum] calculating magnetic moment   Prasenjit Ghosh
• [Pw_forum] calculating the stress tensor   Nichols A. Romero
• [Pw_forum] nosym=.true. in molecular dynamics by PWSCF   Lawrence Lee
  • [Pw_forum] nosym=.true. in molecular dynamics by PWSCF   Axel Kohlmeyer
    • [Pw_forum] processing large charge_density and spin_density xml files   stewart at cnf.cornell.edu
      • [Pw_forum] processing large charge_density and spin_density xml files   Paolo Giannozzi
      • [Pw_forum] processing large charge_density and spin_density xml files   Axel Kohlmeyer
• [Pw_forum] compilation problem   Vivek Ranjan
  • [Pw_forum] compilation problem   Axel Kohlmeyer
• [Pw_forum] problem compiling espresso-3.2 in SGI origin machine   halim said
  • [Pw_forum] problem compiling espresso-3.2 in SGI origin machine   Axel Kohlmeyer
    • [Pw_forum] problem compiling espresso-3.2 in SGI origin machine   halim said
      • [Pw_forum] problem compiling espresso-3.2 in SGI origin machine   Axel Kohlmeyer
• [Pw_forum] How to eliminate imaginary frequencies in phonon calculations   Chaohao Hu
• [Pw_forum] Re: Pw_forum digest, Vol 1 #1300 - 8 msgs   surendra prasad
• [Pw_forum] Can anyone explain my errors in vasp   daya sagar
  • [Pw_forum] Can anyone explain my errors in vasp   Axel Kohlmeyer
  • [Pw_forum] Can anyone explain my errors in vasp   Sanjeev Kumar Gupta
    • [Pw_forum] Can anyone explain my errors in vasp   Rudra
• [Pw_forum] error   Rudra
  • [Pw_forum] error   Paolo Giannozzi
• [Pw_forum] question on the pressure in molecular dynamics   Eduardo Ariel Menendez P
  • [Pw_forum] question on the pressure in molecular dynamics   Eduardo Ariel Menendez P
    • [Pw_forum] question on the pressure in molecular dynamics   degironc
      • [Pw_forum] question on the pressure in molecular dynamics   Nicola Marzari
    • [Pw_forum] question on the pressure in molecular dynamics   Davide Ceresoli
• [Pw_forum] Ba ultrasoft psp   Jess Kondor
  • [Pw_forum] Ba ultrasoft psp   Axel Kohlmeyer
• [Pw_forum] cohesive energy of C60   Jose Manuel Napoles Duarte
  • [Pw_forum] cohesive energy of C60   Paolo Giannozzi
• [Pw_forum] projected phonon DOS   li niu
  • [Pw_forum] projected phonon DOS   Paolo Giannozzi
• [Pw_forum] Question about Example10   lan haiping
  • [Pw_forum] Question about Example10   Paolo Giannozzi
    • [Pw_forum] Question about Example10   lan haiping
    • [Pw_forum] Question about Example10   lan haiping
      • [Pw_forum] Question about Example10   Paolo Giannozzi
      • [Pw_forum] Question about Example10   lan haiping
• [Pw_forum] a question about a calculation on a relatively large system   Peter Winey
  • [Pw_forum] a question about a calculation on a relatively large system   Paolo Giannozzi
    • [Pw_forum] a question about a calculation on a relatively large system   Peter Winey
      • [Pw_forum] a question about a calculation on a relatively large system   Peter Winey
  • [Pw_forum] a question about a calculation on a relatively large system   degironc
• [Pw_forum] The choice of Acoustic Sum Rule for crystal   naivebamboo Huang
  • [Pw_forum] The choice of Acoustic Sum Rule for crystal   Matteo Cococcioni
  • [Pw_forum] The choice of Acoustic Sum Rule for crystal   Matteo Cococcioni
    • [Pw_forum] The choice of Acoustic Sum Rule for crystal   naivebamboo Huang
      • [Pw_forum] The choice of Acoustic Sum Rule for crystal   e kb
      • [Pw_forum] The choice of Acoustic Sum Rule for crystal   Nicola Marzari
• [Pw_forum] misunderstanding on code to determine Fermi energy   W. YU
  • [Pw_forum] misunderstanding on code to determine Fermi energy   Paolo Giannozzi
• [Pw_forum] Re: a question about a calculation on a relatively large system   umari at democritos.it
• [Pw_forum] problem in relaxation by using bfgs   Paolo Giannozzi
  • [Pw_forum] problem in relaxation by using bfgs   Javad hashemifar
• [Pw_forum] RE: misunderstanding on code to determine Fermi energy   W. YU
  • [Pw_forum] RE: misunderstanding on code to determine Fermi energy   W. YU
• [Pw_forum] Raman spectra of amorphous materials   li niu
  • [Pw_forum] Raman spectra of amorphous materials   Nicola Marzari
• [Pw_forum] Sorry   Eyvaz Isaev
• [Pw_forum] Free energy w.r.t. T and QHA   W. YU
  • [Pw_forum] Free energy w.r.t. T and QHA   degironc
  • [Pw_forum] Free energy w.r.t. T and QHA   W. YU
    • [Pw_forum] Free energy w.r.t. T and QHA   Stefano Baroni
• [Pw_forum] RE: Free energy w.r.t. T and QHA   W. YU
  • [Pw_forum] RE: Free energy w.r.t. T and QHA   degironc
  • [Pw_forum] Re: Free energy w.r.t. T and QHA   Eduardo Ariel Menendez P
• [Pw_forum] how to use lambda.x to get Eliashberg coefficient "alpha^2F(w)"?   陳 少華
  • [Pw_forum] how to use lambda.x to get Eliashberg coefficient "alpha^2F(w)"?   Paolo Giannozzi
• [Pw_forum] electrical conductivity   Amin Babazadeh
  • [Pw_forum] electrical conductivity   Alexandre Smogunov
    • [Pw_forum] electrical conductivity   Amin Babazadeh
      • [Pw_forum] electrical conductivity   Alexandre Smogunov
      • [Pw_forum] electrical conductivity   Amin Babazadeh
• [Pw_forum] Force constant   Sanjeev Kumar Gupta
• [Pw_forum] Parallel error on the cluster   Shujun Hu
• [Pw_forum] Please delete the Message "Parallel error on the cluster"   Shujun Hu
  • [Pw_forum] vc-relax with PW   Konstantin Kudin
  • [Pw_forum] Please delete the Message "Parallel error on the cluster"   Axel Kohlmeyer
• [Pw_forum] bug in atlas   Prashant Shevgaonkar
  • [Pw_forum] bug in atlas   Konstantin Kudin
    • [Pw_forum] bug in atlas   Axel Kohlmeyer
      • [Pw_forum] bug in atlas   Marcos Verissimo Alves
• [Pw_forum] problem in DOS   Javad hashemifar
  • [Pw_forum] problem in DOS   Paolo Giannozzi
    • [Pw_forum] problem in DOS   Javad hashemifar
      • [Pw_forum] problem in DOS   Javad hashemifar
      • [Pw_forum] problem in DOS   Paolo Giannozzi
      • [Pw_forum] problem in DOS   Javad hashemifar
      • [Pw_forum] problem in DOS   Axel Kohlmeyer
• [Pw_forum] About Pseudo-Potential generation   Lawrence Lee
  • [Pw_forum] About Pseudo-Potential generation   Paolo Giannozzi
    • [Pw_forum] About Pseudo-Potential generation   Lawrence Lee
      • [Pw_forum] About Pseudo-Potential generation   Paolo Giannozzi
• [Pw_forum] Problem in pp.x   Marcos Verissimo Alves
  • [Pw_forum] Problem in pp.x   Axel Kohlmeyer
  • [Pw_forum] Problem in pp.x   Paolo Giannozzi
    • [Pw_forum] Problem in pp.x   Javad hashemifar
• [Pw_forum] Hi, how to generate the pseudopotentials of I element?   yupiaofei(SDU)
  • [Pw_forum] Hi, how to generate the pseudopotentials of I element?   Axel Kohlmeyer
• [Pw_forum] Debye temp, phonon DOS and sum rules.   Miguel Martínez Canales
  • [Pw_forum] Debye temp, phonon DOS and sum rules.   Paolo Giannozzi
    • [Pw_forum] Debye temp, phonon DOS and sum rules.   Miguel Martínez Canales
      • [Pw_forum] Debye temp, phonon DOS and sum rules.   Paolo Giannozzi
• [Pw_forum] nuclear charge change   Amin Babazadeh
  • [Pw_forum] nuclear charge change   Axel Kohlmeyer
• [Pw_forum] Zr, Y and Lu NC pseudo   jeremie
  • [Pw_forum] Zr, Y and Lu NC pseudo   Paolo Giannozzi
• [Pw_forum] Acoustic branches   meheut at impmc.jussieu.fr
  • [Pw_forum] Acoustic branches   degironc
    • [Pw_forum] Acoustic branches   merlin.meheut at impmc.jussieu.fr
      • [Pw_forum] Acoustic branches   Stefano Baroni
  • [Pw_forum] Acoustic branches   Stefano Baroni
• [Pw_forum] about the projected phonon DOS   li niu
  • [Pw_forum] about the projected phonon DOS   Paolo Giannozzi
• [Pw_forum] Electron affinity calculation   Alexander Shaposhnikov
  • [Pw_forum] Electron affinity calculation   Stefano Baroni
    • [Pw_forum] Electron affinity calculation   Alexander Shaposhnikov
      • [Pw_forum] Electron affinity calculation   Alexander Shaposhnikov
      • [Pw_forum] Electron affinity calculation   Davide Ceresoli
      • [Pw_forum] Electron affinity calculation   Alexander Shaposhnikov
      • [Pw_forum] Electron affinity calculation   Davide Ceresoli
      • [Pw_forum] Electron affinity calculation   Stefano Baroni
      • [Pw_forum] Electron affinity calculation   Stefano Baroni
• [Pw_forum] Re: Pw_forum digest, Vol 1 #1325 - 4 msgs   Amit Kumar
  • [Pw_forum] Re: Pw_forum digest, Vol 1 #1325 - 4 msgs   Malgorzata Wierzbowska
    • [Pw_forum] Re: Pw_forum digest, Vol 1 #1325 - 4 msgs   Srijan Kumar Saha
      • [Pw_forum] Re: Pw_forum digest, Vol 1 #1325 - 4 msgs   Malgorzata Wierzbowska
      • [Pw_forum] Re: Pw_forum digest, Vol 1 #1325 - 4 msgs   Srijan Kumar Saha
      • [Pw_forum] Re: Pw_forum digest, Vol 1 #1325 - 4 msgs   Malgorzata Wierzbowska
• [Pw_forum] QHA code   Eyvaz Isaev
  • [Pw_forum] QHA code   Paolo Giannozzi
• [Pw_forum] How to generate pseudo of atoms on a partially occupied position using virtual.x ?   ruizhi zhang
  • [Pw_forum] How to generate pseudo of atoms on a partially occupied position using virtual.x ?   degironc
  • [Pw_forum] How to generate pseudo of atoms on a partially occupied position using virtual.x ?   Eyvaz Isaev
  • [Pw_forum] How to generate pseudo of atoms on a partially occupied position using virtual.x ?   Stefano Baroni
• [Pw_forum] Plot phonon dispersion   Igor R. Shein
  • [Pw_forum] Plot phonon dispersion   Eyvaz Isaev
    • [Pw_forum] Plot phonon dispersion   Igor R. Shein
• [Pw_forum] How to use upftools ( where is the manual about upftools)   yukihiro_okuno at fujifilm.co.jp
  • [Pw_forum] How to use upftools ( where is the manual about upftools)   Axel Kohlmeyer
• [Pw_forum] On tne optimization error in PbTiO3   yukihiro_okuno at fujifilm.co.jp
  • [Pw_forum] On tne optimization error in PbTiO3   degironc
    • [Pw_forum] On tne optimization error in PbTiO3   Axel Kohlmeyer
• [Pw_forum] About (7,3) nanowire coordinates   A Sen
  • [Pw_forum] About (7,3) nanowire coordinates   stewart at cnf.cornell.edu
• [Pw_forum] q not allowed   Ezad Shojaee
  • [Pw_forum] q not allowed   Eyvaz Isaev
• [Pw_forum] Induced charge density, phonon.   Vasile Chis
• [Pw_forum] Integrated DOS in dos.x output is not consistent in nelec   yukihiro_okuno at fujifilm.co.jp
  • [Pw_forum] Integrated DOS in dos.x output is not consistent in nelec   Andrea Ferretti

Last message date: Wed Jan 31 22:49:04 CET 2007
Archived on: Wed Feb 28 11:02:42 CET 2018

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