April 2006 Archives by thread

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Starting: Sat Apr 1 05:10:49 CEST 2006
Ending: Sat Apr 29 10:38:39 CEST 2006
Messages: 220

• [Pw_forum] about output wavefunction, charge density and potential   J G Che
  • [Pw_forum] about output wavefunction, charge density and potential   Paolo Giannozzi
    • [Pw_forum] about output wavefunction, charge density and potential   J G Che
      • [Pw_forum] about output wavefunction, charge density and potential   Stefano Baroni
      • [Pw_forum] about output wavefunction, charge density and potential   J G Che
      • [Pw_forum] about output wavefunction, charge density and potential   Paolo Giannozzi
      • [Pw_forum] about output wavefunction, charge density and potential   J G Che
      • [Pw_forum] Re: about output wavefunction, charge density and potential   stewart at cnf.cornell.edu
• [Pw_forum] a warning occured when calculating the Ra man of the SnO.   lyw1983
  • [Pw_forum] a warning occured when calculating the Ra man of the SnO.   Stefano Baroni
• [Pw_forum] on pbe-rrkjus potentials   sir_puding at tut.by
  • [Pw_forum] on pbe-rrkjus potentials   degironc
  • [Pw_forum] PBE usoft Mg ?   H.S.Domingos
    • [Pw_forum] PBE usoft Mg ?   Paolo Giannozzi
      • [Pw_forum] PBE usoft Mg ?   H.S.Domingos
      • [Pw_forum] PBE usoft Mg ?   Stefano Baroni
      • [Pw_forum] PBE usoft Mg ?   H.S.Domingos
      • [Pw_forum] PBE usoft Mg ?   Paolo Giannozzi
      • [Pw_forum] PBE usoft Mg ?   Stefano Baroni
• [Pw_forum] Reading   Sergey Lisenkov
• [Pw_forum] Reading "rho" file   Sergey Lisenkov
  • [Pw_forum] Reading "rho" file   Paolo Giannozzi
    • [Pw_forum] Reading "rho" file   Sergey Lisenkov
      • [Pw_forum] Reading "rho" file   Paolo Giannozzi
• [Pw_forum] vanderwaals   Nichols A. Romero
• [Pw_forum] convert pseudo format   XunLei Ding
  • [Pw_forum] convert pseudo format   Paolo Giannozzi
• [Pw_forum] Modification of sort.f90 in v-3.0   Paolo Giannozzi
  • [Pw_forum] Modification of sort.f90 in v-3.0   David Prendergast
• [Pw_forum] Question on phonons at non-Gamma points   Paolo Giannozzi
• [Pw_forum] about the Sym.Ops.   li yan
• [Pw_forum] Parallel version and NFS   sir_puding at tut.by
  • [Pw_forum] Parallel version and NFS   Paolo Giannozzi
    • [Pw_forum] runtime error   H.S.Domingos
    • [Pw_forum] runtime error   Paolo Giannozzi
    • [Pw_forum] runtime error   Sergey Lisenkov
    • [Pw_forum] runtime error   H.S.Domingos
    • [Pw_forum] runtime error   Axel Kohlmeyer
    • [Pw_forum] Parallel version and NFS   sir_puding at tut.by
      • [Pw_forum] Parallel version and NFS   Paolo Giannozzi
      • [Pw_forum] Parallel version and NFS   H.S.Domingos
      • [Pw_forum] Parallel version and NFS   sir_puding at tut.by
      • [Pw_forum] Parallel version and NFS   Huiqun Zhou
      • [Pw_forum] Parallel version and NFS   Paolo Giannozzi
      • [Pw_forum] Parallel version and NFS   sir_puding at tut.by
      • [Pw_forum] Parallel version and NFS   Huiqun Zhou
• [Pw_forum] Problem with compilation   Pavel B. Sorokin
  • [Pw_forum] Problem with compilation   Paolo Giannozzi
    • [Pw_forum] Problem with compilation   Sergey Lisenkov
• [Pw_forum] Reading "rho" file   Sergey Lisenkov
  • [Pw_forum] Reading "rho" file   Paolo Giannozzi
  • [Pw_forum] Reading "rho" file   Paolo Giannozzi
• [Pw_forum] How can I get the potential value in the middle of the vacuum layer?   Ruslan Minibaev
  • [Pw_forum] How can I get the potential value in the middle of the vacuum layer?   Giovanni Cantele
    • [Pw_forum] How can I get the potential value in the middle of the vacuum layer?   Nicola Marzari
• [Pw_forum] Problem about running examples/example05   lan haiping
  • [Pw_forum] Problem about running examples/example05   Paolo Giannozzi
• [Pw_forum] "internal error, cannot braket Ef" in cvs version   Sergey Lisenkov
  • [Pw_forum] "internal error, cannot braket Ef" in cvs version   Paolo Giannozzi
    • [Pw_forum] "internal error, cannot braket Ef" in cvs version   Sergey Lisenkov
• [Pw_forum] pw2casino question   Fernando A Reboredo
  • [Pw_forum] pw2casino question   Paolo Giannozzi
  • [Pw_forum] (no subject)   H.S.Domingos
    • [Pw_forum] (no subject)   Paolo Giannozzi
• [Pw_forum] error on phonon calculation (root not converged)   Liping YU
  • [Pw_forum] error on phonon calculation (root not converged)   Eyvaz Isaev
    • [Pw_forum] error on phonon calculation (root not converged)   Paolo Giannozzi
      • [Pw_forum] error on phonon calculation (root not converged)   Eyvaz Isaev
      • [Pw_forum] error on phonon calculation (root not converged)   Liping YU
      • [Pw_forum] error on phonon calculation (root not converged)   Paolo Giannozzi
      • [Pw_forum] error on phonon calculation (root not converged)   Liping YU
      • [Pw_forum] error on phonon calculation (root not converged)   Paolo Giannozzi
      • [Pw_forum] error on phonon calculation (root not converged)   Nicola Marzari
      • [Pw_forum] error on phonon calculation (root not converged)   Liping YU
      • [Pw_forum] error on phonon calculation (root not converged)   Nicola Marzari
      • [Pw_forum] error on phonon calculation (root not converged)   Liping YU
      • [Pw_forum] error on phonon calculation (root not converged)   Nicola Marzari
      • [Pw_forum] error on phonon calculation (root not converged)   Liping YU
      • [Pw_forum] error on phonon calculation (root not converged)   Liping YU
      • [Pw_forum] error on phonon calculation (root not converged)   Paolo Giannozzi
      • [Pw_forum] error on phonon calculation (root not converged)   Liping YU
      • [Pw_forum] error on phonon calculation (root not converged)   Nicola Marzari
      • [Pw_forum] error on phonon calculation (root not converged)   Paolo Giannozzi
      • [Pw_forum] error on phonon calculation (root not converged)   Liping YU
      • [Pw_forum] error on phonon calculation (root not converged)   Paolo Giannozzi
      • [Pw_forum] error on phonon calculation (root not converged)   Paolo Giannozzi
• [Pw_forum] CP: prefix_ndw.save files in local directory   Eduardo Ariel Menendez P
• [Pw_forum] k-points sample in BZ   lan haiping
  • [Pw_forum] k-points sample in BZ   Paolo Giannozzi
  • [Pw_forum] Another day another compilation problem   H.S.Domingos
    • [Pw_forum] Another day another compilation problem   Paolo Giannozzi
    • [Pw_forum] Another day another compilation problem   Sergey Lisenkov
  • [Pw_forum] some problem in calculate EFG   hadi hassaniyan arefi
  • [Pw_forum] some problem in calculate EFG   hadi hassaniyan arefi
  • [Pw_forum] some problem in calculate EFG   hadi hassaniyan arefi
• [Pw_forum] Pseudopotential for Mn   Huiqun Zhou
• [Pw_forum] about LAM/MPI   Lin Zhuang
  • [Pw_forum] about LAM/MPI   Paolo Giannozzi
  • [Pw_forum] Non-colinear magnetism   H.S.Domingos
    • [Pw_forum] Non-colinear magnetism   Andrea Dal Corso
• [Pw_forum] [Fwd: help]   David Prendergast
  • [Pw_forum] [Fwd: help]   Silviu Zilberman
• [Pw_forum] RE: Welcome to the "Pw_forum" mailing list   halim said
  • [Pw_forum] RE: Welcome to the "Pw_forum" mailing list   halim said
• [Pw_forum] Re: vanderwaals   Sandro Scandolo
  • [Pw_forum] Phonon frequencies different for equivalent q points   stewart at cnf.cornell.edu
    • [Pw_forum] Phonon frequencies different for equivalent q points   Eyvaz Isaev
      • [Pw_forum] Re: Phonon frequencies different for equivalent q points   stewart at cnf.cornell.edu
      • [Pw_forum] Re: Phonon frequencies different for equivalent q points   Eyvaz Isaev
    • [Pw_forum] Phonon frequencies different for equivalent q points   Paolo Giannozzi
      • [Pw_forum] Re: Phonon frequencies different for equivalent q points   stewart at cnf.cornell.edu
• [Pw_forum] Small typo in espresso-3.0 ./configure script   David Prendergast
• [Pw_forum] relax vs MD   Lin Zhuang
  • [Pw_forum] relax vs MD   Nicola Marzari
• [Pw_forum] How to adjust emass,dt and cutoff in cp.x calculation?   Ruijuan Xiao
  • [Pw_forum] How to adjust emass,dt and cutoff in cp.x calculation?   Nicola Marzari
  • [Pw_forum] How to adjust emass,dt and cutoff in cp.x calculation?   Sandro Scandolo
• [Pw_forum] How to adjust emass,dt and cutoff in cp.x calculation?   Ruijuan Xiao
• [Pw_forum] Why the energies are different when two molecules are calculated together and separate?   Xunlei Ding
  • [Pw_forum] Why the energies are different when two molecules are calculated together and separate?   Nicola Marzari
    • [Pw_forum] Why the energies are different when two molecules are calculated together and separate?   Lucas Fernandez Seivane
      • [Pw_forum] Why the energies are different when two molecules are calculated together and separate?   Nichols A. Romero
      • [Pw_forum] Why the energies are different when two molecules are calculated together and separate?   Nicola Marzari
      • [Pw_forum] Why the energies are different when two molecules are calculated together and separate?   Stefano de Gironcoli
      • [Pw_forum] Why the energies are different when two molecules are calculated together and separate?   Paolo Giannozzi
  • [Pw_forum] SOC   Bhagawan Sahu
    • [Pw_forum] SOC   Andrea Dal Corso
• [Pw_forum] How to adjust emass,dt and cutoff in cp.x calculation?   Paul Tangney
  • [Pw_forum] How to adjust emass,dt and cutoff in cp.x calculation?   Axel Kohlmeyer
• [Pw_forum] How to adjust emass,dt and cutoff in cp.x calculation?   Ruijuan Xiao
• [Pw_forum] Re: Why the energies are different when two molecules are calculated together and separate?   Xunlei Ding
• [Pw_forum] Error in polarization calculations   Sergey Lisenkov
  • [Pw_forum] Error in polarization calculations   Paolo Giannozzi
  • [Pw_forum] converged to wrong magnetic state of hcp cobalt in Opteron   wlyim at puccini.che.pitt.edu
    • [Pw_forum] converged to wrong magnetic state of hcp cobalt in Opteron   Axel Kohlmeyer
    • [Pw_forum] converged to wrong magnetic state of hcp cobalt in Opteron   wlyim at puccini.che.pitt.edu
    • [Pw_forum] converged to wrong magnetic state of hcp cobalt in Opteron   Konstantin Kudin
    • [Pw_forum] converged to wrong magnetic state of hcp cobalt in Opteron   wlyim at puccini.che.pitt.edu
    • [Pw_forum] converged to wrong magnetic state of hcp cobalt in Opteron   wlyim at puccini.che.pitt.edu
    • [Pw_forum] converged to wrong magnetic state of hcp cobalt in Opteron   Nicola Marzari
• [Pw_forum] problems with running example   辉 曹
  • [Pw_forum] problems with running example   Nicola Marzari
• [Pw_forum] Problem not related PWscf   lan haiping
  • [Pw_forum] Problem not related PWscf   Axel Kohlmeyer
  • [Pw_forum] Problem not related PWscf   Huiqun Zhou
    • [Pw_forum] Problem not related PWscf   lan haiping
• [Pw_forum] error while parallel running   Lin Zhuang
  • [Pw_forum] error while parallel running   Eyvaz Isaev
  • [Pw_forum] error while parallel running   Eyvaz Isaev
• [Pw_forum] building espresso-3.0 with g95?   Andrey Khavryuchenko
  • [Pw_forum] building espresso-3.0 with g95?   Paolo Giannozzi
    • [Pw_forum] Re: building espresso-3.0 with g95?   Andrey Khavryuchenko
      • [Pw_forum] Re: building espresso-3.0 with g95?   Paolo Giannozzi
• [Pw_forum] Re: Re: error while parallel running   Lin Zhuang
  • [Pw_forum] Re: Re: error while parallel running   Paolo Giannozzi
• [Pw_forum] Re: building espresso-3.0 with g95?   Xunlei Ding
  • [Pw_forum] Re: building espresso-3.0 with g95?   Andrey Khavryuchenko
• [Pw_forum] which k-point   Dmitry Korotin
• [Pw_forum] RE: Pw_forum digest, Vol 1 #954 - 5 msgs   LEE Chin Chai
• [Pw_forum] Symmetry-finding problems in pw.x   Steven Kirk
  • [Pw_forum] Symmetry-finding problems in pw.x   Nicola Marzari
• [Pw_forum] pw.x always crashes at the end of relax calculations   Eduardo J. Lamas
  • [Pw_forum] pw.x always crashes at the end of relax calculations   Paolo Giannozzi
• [Pw_forum] metallic or not   Sergey Lisenkov
  • [Pw_forum] metallic or not   Eyvaz Isaev
    • [Pw_forum] metallic or not   Sergey Lisenkov
• [Pw_forum] Re: SOC   Eduardo Ariel Menendez P
  • [Pw_forum] Re: SOC   Andrea Dal Corso
  • [Pw_forum] SOC on surfaces: charge is wrong...   Cyrille Barreteau
    • [Pw_forum] Fwd: how to input crystal structure of Amm2 SrTiO3   Stefano Baroni
    • [Pw_forum] Re: how to input crystal structure of Amm2 SrTiO3   Stefano Baroni
• [Pw_forum] PW compilation with Threaded and MPI FFTW   sir_puding at tut.by
  • [Pw_forum] PW compilation with Threaded and MPI FFTW   H.S.Domingos
  • [Pw_forum] PW compilation with Threaded and MPI FFTW   Davide Ceresoli
• [Pw_forum] question on potential energy in constant pressure simulations   Konstantin Kudin
  • [Pw_forum] question on potential energy in constant pressure simulations   Nicola Marzari
    • [Pw_forum] question on potential energy in constant pressure simulations   Konstantin Kudin
      • [Pw_forum] question on potential energy in constant pressure simulations   Sandro Scandolo
    • [Pw_forum] still wrong stress in CP [was: question on potential energy in constant pressure simulations]   Konstantin Kudin
      • [Pw_forum] still wrong stress in CP - update   Konstantin Kudin
  • [Pw_forum] Problem with examples   Cesar Alberto Cab Cauich
    • [Pw_forum] Problem with examples   Nguyen Huy Viet
    • [Pw_forum] Re: Problem with examples   stewart at cnf.cornell.edu
      • [Pw_forum] Problem with Wannier function centers   Konstantin Kudin
      • [Pw_forum] Re: Problem with examples   Davide Ceresoli
• [Pw_forum] problems about the structure   li yan
  • [Pw_forum] problems about the structure   Paolo Giannozzi
• [Pw_forum] A question about elelectron-phonon coupli ng   luch001
  • [Pw_forum] A question about elelectron-phonon coupli ng   Paolo Giannozzi
• [Pw_forum] Re: Problem with Wannier function centers   Nicola Marzari
  • [Pw_forum] Re: Problem with examples   Cesar Alberto Cab Cauich
    • [Pw_forum] Re: Problem with examples   stewart at cnf.cornell.edu
• [Pw_forum] problems with running example   辉 曹
  • [Pw_forum] problems with running example   Paolo Giannozzi
  • [Pw_forum] a question about relaxing   Ezad Shojaee
    • [Pw_forum] a question about relaxing   degironc
  • [Pw_forum] about vc-relax   Ezad Shojaee
  • [Pw_forum] (no subject)   Ezad Shojaee
• [Pw_forum] parallel scaling in PWSCF   Nichols A. Romero
  • [Pw_forum] parallel scaling in PWSCF   Axel Kohlmeyer
    • [Pw_forum] parallel scaling in PWSCF   Fernando A Reboredo
      • [Pw_forum] parallel scaling in PWSCF   Andrea Ferretti
      • [Pw_forum] parallel scaling in PWSCF   carlo sbraccia
      • [Pw_forum] parallel scaling in PWSCF   Nichols A. Romero
  • [Pw_forum] fhi98PP lloc   Andrea Floris
    • [Pw_forum] fhi98PP lloc   Paolo Giannozzi
    • [Pw_forum] fhi98PP lloc   Paolo Giannozzi
• [Pw_forum] How should I input the positions of atoms for such material?   lyw1983
• [Pw_forum] Can't run pwgui and missing chden.x   Luke Thulin
  • [Pw_forum] Can't run pwgui and missing chden.x   Giovanni Cantele
    • [Pw_forum] Can't run pwgui and missing chden.x   Luke Thulin
      • [Pw_forum] Can't run pwgui and missing chden.x   Luke Thulin
      • [Pw_forum] Can't run pwgui and missing chden.x   Paolo Giannozzi
      • [Pw_forum] Can't run pwgui and missing chden.x   Tone Kokalj
      • [Pw_forum] Can't run pwgui and missing chden.x   Tone Kokalj
      • [Pw_forum] Can't run pwgui and missing chden.x   Luke Thulin
      • [Pw_forum] Can't run pwgui and missing chden.x   Tone Kokalj
      • [Pw_forum] Can't run pwgui and missing chden.x   Luke Thulin
• [Pw_forum] nodes halt problem   Eduardo Ariel Menendez P
  • [Pw_forum] symmetry problem in vc-relax   Ezad Shojaee

Last message date: Sat Apr 29 10:38:39 CEST 2006
Archived on: Tue Jul 10 14:24:05 CEST 2007

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