June 2008 Archives by thread

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Starting: Mon Jun 2 04:06:22 CEST 2008
Ending: Mon Jun 30 22:17:23 CEST 2008
Messages: 266

• [Pw_forum] About PWgui-4.0 and XCrySDen   Fan Yang
• [Pw_forum] How to calculated about supercell of AFM structure?   r95222066 at ntu.edu.tw
  • [Pw_forum] How to calculated about supercell of AFM structure?   Huiqun Zhou
• [Pw_forum] Did the wfc file must output during the calculation?   r95222066 at ntu.edu.tw
  • [Pw_forum] Did the wfc file must output during the calculation?   Paolo Giannozzi
• [Pw_forum] Convergence problem about AFM total magnetization?   r95222066 at ntu.edu.tw
  • [Pw_forum] Convergence problem about AFM total magnetization?   Prof. Sushil Auluck
• [Pw_forum] About PWgui-4.0 and XCrySDen   Tone Kokalj
• [Pw_forum] charge density difference 1   wangqj1
  • [Pw_forum] charge density difference 1   Hande Ustunel
• [Pw_forum] Vibration Spectrum from QE   Clark Lee
  • [Pw_forum] Vibration Spectrum from QE   程迎春
  • [Pw_forum] Vibration Spectrum from QE   Eyvaz Isaev
    • [Pw_forum] Vibration Spectrum from QE   Paolo Giannozzi
• [Pw_forum] error : unable to creat directory *.save   huangchunlin1984
• [Pw_forum] Convergence Problem on dipole correction and XCrysden problem on X86_64   sei ou
  • [Pw_forum] Convergence Problem on dipole correction and XCrysdenproblem on X86_64   zhaohscas
    • [Pw_forum] Convergence Problem on dipole correction and XCrysdenproblem on X86_64   Stefano Baroni
  • [Pw_forum] Convergence Problem on dipole correction and XCrysden problem on X86_64   Tone Kokalj
    • [Pw_forum] Convergence Problem on dipole correction and XCrysden problem on X86_64   sei ou
  • [Pw_forum] Convergence Problem on dipole correction and XCrysden problem on X86_64   Conor Hogan
• [Pw_forum] unable to create directory prefix.save   huangchunlin1984
  • [Pw_forum] unable to create directory prefix.save   Lorenzo Paulatto
    • [Pw_forum] unable to create directory prefix.save   huangchunlin1984
      • [Pw_forum] unable to create directory prefix.save   Axel Kohlmeyer
• [Pw_forum] charge density difference 1   wangqj1
  • [Pw_forum] charge density difference 1   Hande Ustunel
• [Pw_forum] About the visualization of charge density plot on arbitrary Miller plane of general triclinic crystal system.   zhaohscas
  • [Pw_forum] About the visualization of charge density plot on arbitrary Miller plane of general triclinic crystal system.   Tone Kokalj
  • [Pw_forum] About the visualization of charge density ploton arbitrary Miller plane of general triclinic crystal   zhaohscas
• [Pw_forum] generating a La US-PP with 4f valence   J. D. Burton
• [Pw_forum] post-proccesing using pwscf4.0 and PAW   chu-chun fu
  • [Pw_forum] post-proccesing using pwscf4.0 and PAW   Lorenzo Paulatto
• [Pw_forum] Did the wfc file must output during the calculation?   Rudra Banerjee
  • [Pw_forum] Did the wfc file must output during the calculation?   Stefano de Gironcoli
  • [Pw_forum] Did the wfc file must output during the calculation?   Paolo Giannozzi
• [Pw_forum] unable to create directory prefix.save   Andrea Ferretti
• [Pw_forum] sawlike potential in supercell calculation   Mohamed.Majdoub at mail.uh.edu
  • [Pw_forum] sawlike potential in supercell calculation   lan haiping
  • [Pw_forum] sawlike potential in supercell calculation   Stefano de Gironcoli
• [Pw_forum] Innards of ph.f90 and Matdyn.f90   Paul M. Grant
  • [Pw_forum] Innards of ph.f90 and Matdyn.f90   Paolo Giannozzi
  • [Pw_forum] Seeking an LDA Fluorine USPP   Yaser Rehem
  • [Pw_forum] Seeking an LDA Fluorine USPP   Lorenzo Paulatto
  • [Pw_forum] Seeking an LDA Fluorine USPP   Yaser Rehem
• [Pw_forum] The criteria of relax ?   wangqj1
  • [Pw_forum] The criteria of relax ?   j.antonio.montoya at gmail.com
• [Pw_forum] How to solve the problem: "problems computing cholesky decomposition"   Wang Qinjing
  • [Pw_forum] How to solve the problem: "problems computing cholesky decomposition"   Eyvaz Isaev
    • [Pw_forum] How to solve the problem: "problems computing cholesky decomposition"   Wang Qinjing
      • [Pw_forum] How to solve the problem: "problems computing cholesky decomposition"   Paolo Giannozzi
• [Pw_forum] convergence NOT achieved, stopping   wangqj1
  • [Pw_forum] convergence NOT achieved, stopping   j.antonio.montoya at gmail.com
  • [Pw_forum] About the generate uspp of hafnium for using within pwscf.   zhaohscas
    • [Pw_forum] About the generate uspp of hafnium for using within pwscf.   Paolo Giannozzi
• [Pw_forum] pwscf's compiling error under cygwin.   zhaohscas
  • [Pw_forum] pwscf's compiling error under cygwin.   Axel Kohlmeyer
• [Pw_forum] A bug in the pp.x?   zhaohscas
  • [Pw_forum] A bug in the pp.x?   Lorenzo Paulatto
  • [Pw_forum] A bug in the pp.x?   zhaohscas
    • [Pw_forum] A bug in the pp.x?   Axel Kohlmeyer
    • [Pw_forum] A bug in the pp.x?   Tone Kokalj
  • [Pw_forum] A query about the PRIMCOORD parameter of the Xcrysden.   zhaohscas
    • [Pw_forum] A query about the PRIMCOORD parameter of the Xcrysden.   Stefano de Gironcoli
  • [Pw_forum] Xcysden cann't give all atoms in the conventional cell.   zhaohscas
    • [Pw_forum] Xcysden cann't give all atoms in the conventional cell.   Axel Kohlmeyer
    • [Pw_forum] Xcysden cann't give all atoms in the conventional cell.   Tone Kokalj
      • [Pw_forum] Xcysden cann't give all atoms in theconventional cell.   zhaohscas
      • [Pw_forum] Xcysden cann't give all atoms in theconventional cell.   Tone Kokalj
      • [Pw_forum] Xcysden cann't give all atoms in theconventional cell.   Tone Kokalj
      • [Pw_forum] Xcysden cann't give all atoms in theconventional cell.   zhaohscas
      • [Pw_forum] Xcysden cann't give all atoms in theconventional cell.   Axel Kohlmeyer
• [Pw_forum] 回复： Pw_forum Digest, Vol 12, Issue 11   jiming an
  • [Pw_forum] 回复： Pw_forum Digest, Vol 12, Issue 11   Paolo Giannozzi
• [Pw_forum] band structure   程迎春
  • [Pw_forum] band structure   Stefano Baroni
  • [Pw_forum] band structure   程迎春
  • [Pw_forum] band structure   Stefano Baroni
  • [Pw_forum] band structure   程迎春
  • [Pw_forum] band structure   Stefano de Gironcoli
• [Pw_forum] Gamma point versus spin-orbit calculation   Álvaro Alves
  • [Pw_forum] Gamma point versus spin-orbit calculation   Paolo Giannozzi
• [Pw_forum] The erro of pwgui on windows by using the activetcl: can not find channel named...   zhaohscas
  • [Pw_forum] The erro of pwgui on windows by using the activetcl: can not find channel named...   Tone Kokalj
• [Pw_forum] Problems concerning fhi2upf and cpmd2upf   Holger Hesske
  • [Pw_forum] Problems concerning fhi2upf and cpmd2upf   Axel Kohlmeyer
    • [Pw_forum] Can the Xcrysden give the values labels for the 2D charge density coutour plots?   zhaohscas
      • [Pw_forum] Can the Xcrysden give the values labels for the 2D charge density coutour plots?   Tone Kokalj
      • [Pw_forum] Problems concerning fhi2upf and cpmd2upf   Paolo Giannozzi
• [Pw_forum] Electron-phonon interaction energy (EPIE).   Li yan-ling
• [Pw_forum] neb   ÇÍÓÇä ÚÑíÞÇÊ
  • [Pw_forum] neb   Stefano de Gironcoli
• [Pw_forum] Xcrysden   Álvaro Alves
  • [Pw_forum] Xcrysden   Axel Kohlmeyer
• [Pw_forum] eigenvalues not converged in ph.x   lfhuang at theory.issp.ac.cn
  • [Pw_forum] eigenvalues not converged in ph.x   Paolo Giannozzi
• [Pw_forum] converting CPMD pp's to UPF   Min Seung Kyu
  • [Pw_forum] converting CPMD pp's to UPF   Paolo Giannozzi
• [Pw_forum] phq_readin and LDA+U   Paul M. Grant
  • [Pw_forum] phq_readin and LDA+U   Eyvaz Isaev
• [Pw_forum] phq_readin and LDA+U   Paul Grant
• [Pw_forum] PB mixing PP produced with ld1 with virtual.x   Jérémie Teyssier
  • [Pw_forum] PB mixing PP produced with ld1 with virtual.x   Nicola Marzari
  • [Pw_forum] PB mixing PP produced with ld1 with virtual.x   Lorenzo Paulatto
• [Pw_forum] neb   ÇÍÓÇä ÚÑíÞÇÊ
  • [Pw_forum] neb   Prasenjit Ghosh
  • [Pw_forum] neb   zhaohscas
    • [Pw_forum] neb   Prasenjit Ghosh
      • [Pw_forum] neb   Stefano de Gironcoli
      • [Pw_forum] neb   Tone Kokalj
      • [Pw_forum] neb   Prasenjit Ghosh
      • [Pw_forum] neb   Tone Kokalj
      • [Pw_forum] neb   Prasenjit Ghosh
  • [Pw_forum] phq_readin and LDA+U   Andrea Floris
• [Pw_forum] phq_readin and LDA+U   Paul Grant
  • [Pw_forum] EOS for Tetragonal Systems   Ezad Shojaee
    • [Pw_forum] EOS for Tetragonal Systems   Eyvaz Isaev
      • [Pw_forum] EOS for Tetragonal Systems   Stefano Baroni
• [Pw_forum] about Phonon results   xwzhang at uestc.edu.cn
  • [Pw_forum] about Phonon results   lan haiping
• [Pw_forum] new user problem running Si   beaudet at uiuc.edu
  • [Pw_forum] new user problem running Si   Nichols A. Romero
  • [Pw_forum] new user problem running Si   Axel Kohlmeyer
  • [Pw_forum] EOS for Tetragonal Systems   Ezad Shojaee
• [Pw_forum] ELP map with VMD   glevita at units.it
  • [Pw_forum] ELP map with VMD   Axel Kohlmeyer
  • [Pw_forum] cell optimization   hania djani-ait aissa
    • [Pw_forum] cell optimization   Axel Kohlmeyer
• [Pw_forum] Compulate the spanning vectors for 2D and 3D scalar-fields data grid in Xcrysden.   zhaohscas
  • [Pw_forum] Compulate the spanning vectors for 2D and 3D scalar-fields data grid in Xcrysden.   Tone Kokalj
    • [Pw_forum] Compulate the spanning vectors for 2D and3D scalar-fields data grid in Xcrysden.   zhaohscas
      • [Pw_forum] Compulate the spanning vectors for 2D and3D scalar-fields data grid in Xcrysden.   Lorenzo Paulatto
  • [Pw_forum] cell optimization   hania djani-ait aissa
    • [Pw_forum] cell optimization   Gebauer Ralph
  • [Pw_forum] cell optimization   hania djani-ait aissa
    • [Pw_forum] cell optimization   Stefano Baroni
    • [Pw_forum] cell optimization   Axel Kohlmeyer
      • [Pw_forum] cell optimization   Nicola Marzari
• [Pw_forum] cell optimization and relax   wangqj1
  • [Pw_forum] cell optimization   hania djani-ait aissa
• [Pw_forum] error message - problems computing cholesky decomposition   shruba at gmail.com
  • [Pw_forum] error message - problems computing cholesky decomposition   Paolo Giannozzi
• [Pw_forum] about Phonon results   Eduardo Ariel Menendez Proupin
  • [Pw_forum] about Phonon results   Stefano de Gironcoli
• [Pw_forum] new user problem running Si   beaudet at uiuc.edu
  • [Pw_forum] new user problem running Si   Stefano de Gironcoli
  • [Pw_forum] new user problem running Si   Paolo Giannozzi
• [Pw_forum] regarding Wannier transport code   T.Maitra at tnw.utwente.nl
  • [Pw_forum] regarding Wannier transport code   Stefano de Gironcoli
    • [Pw_forum] regarding Wannier transport code   T.Maitra at tnw.utwente.nl
      • [Pw_forum] regarding Wannier transport code   Stefano de Gironcoli
      • [Pw_forum] regarding Wannier transport code   Andrea Ferretti
      • [Pw_forum] regarding Wannier transport code   Stefano Baroni
      • [Pw_forum] regarding Wannier transport code   T.Maitra at tnw.utwente.nl
• [Pw_forum] Berry Phase calculation for gdir=1,2 in parallel   Jess Kondor
• [Pw_forum] Berry Phase calculation for gdir=1, 2 in parallel (Paolo Umari)   umari at democritos.it
• [Pw_forum] my understanding about ASR   xwzhang at uestc.edu.cn
  • [Pw_forum] my understanding about ASR   Paolo Giannozzi
    • [Pw_forum] my understanding about ASR   stewart at cnf.cornell.edu
      • [Pw_forum] my understanding about ASR   Stefano Baroni
      • [Pw_forum] my understanding about ASR   stewart at cnf.cornell.edu
      • [Pw_forum] my understanding about ASR   Stefano Baroni
• [Pw_forum] About the spline interpolation for charge density.   zhaohscas
  • [Pw_forum] About the spline interpolation for charge density.   Paolo Giannozzi
• [Pw_forum] my understanding about ASR   Eduardo Ariel Menendez Proupin
• [Pw_forum] my understanding about ASR   Eduardo Ariel Menendez Proupin
  • [Pw_forum] my understanding about ASR   Stefano Baroni
• [Pw_forum] wfcdir and oldwfc   Javier Fuhr
  • [Pw_forum] wfcdir and oldwfc   Cyrille Barreteau
  • [Pw_forum] wfcdir and oldwfc   Paolo Giannozzi
• [Pw_forum] Print Modules in pw.x   Paul M. Grant
  • [Pw_forum] Print Modules in pw.x   Paolo Giannozzi
• [Pw_forum] Phonon anomaly in GaSb   Gokhan GOKOGLU
  • [Pw_forum] Phonon anomaly in GaSb   Eyvaz Isaev
• [Pw_forum] Print Modules in pw.x   Paul Grant
• [Pw_forum] Running examples in espresso-4.0   Amos Leffler
  • [Pw_forum] Running examples in espresso-4.0   Axel Kohlmeyer
  • [Pw_forum] Running examples in espresso-4.0   Sushil Auluck
    • [Pw_forum] Running examples in espresso-4.0   Paul M. Grant
      • [Pw_forum] Running examples in espresso-4.0   Paolo Giannozzi
      • [Pw_forum] Running examples in espresso-4.0   Axel Kohlmeyer
      • [Pw_forum] Running examples in espresso-4.0   Davide Ceresoli
      • [Pw_forum] Running examples in espresso-4.0   Paul M. Grant
      • [Pw_forum] Running examples in espresso-4.0   Paolo Giannozzi
      • [Pw_forum] Running examples in espresso-4.0   Paul M. Grant
      • [Pw_forum] Running examples in espresso-4.0   Axel Kohlmeyer
    • [Pw_forum] spin polarized DOS   ramesh kumar
  • [Pw_forum] cell optimization   hania djani-ait aissa
    • [Pw_forum] cell optimization   Stefano Baroni
    • [Pw_forum] cell optimization   hania djani-ait aissa
    • [Pw_forum] cell optimization   Stefano Baroni
    • [Pw_forum] cell optimization   Eyvaz Isaev
    • [Pw_forum] cell optimization   Eyvaz Isaev
• [Pw_forum] "recover" tag   S. K. S.
  • [Pw_forum] "recover" tag   Paolo Giannozzi
• [Pw_forum] Phonon paralization   S. K. S.
  • [Pw_forum] Phonon paralization   Paolo Giannozzi
• [Pw_forum] Pw_forum Digest, Vol 12, Issue 40   kuilin lu
• [Pw_forum] Running examples in espresso-4.0   kuilin lu
• [Pw_forum] Problem in running jobs   Padmaja Patnaik
  • [Pw_forum] Problem in running jobs   Axel Kohlmeyer
  • [Pw_forum] complex band of Cu(111)   Manoj Srivastava
    • [Pw_forum] complex band of Cu(111)   Letizia Chiodo
    • [Pw_forum] complex band of Cu(111)   Alexander
      • [Pw_forum] complex band of Cu(111)   Manoj Srivastava
  • [Pw_forum] something wrong with vc-relax & relax on my clusters   lewvega
    • [Pw_forum] something wrong with vc-relax & relax on my clusters   Lorenzo Paulatto
      • [Pw_forum] something wrong with vc-relax & relax on my clusters   Paolo Giannozzi
      • [Pw_forum] something wrong with vc-relax & relax on my clusters   Stefano Baroni
    • [Pw_forum] something wrong with vc-relax & relax on my clusters   Axel Kohlmeyer
      • [Pw_forum] something wrong with vc-relax & relax on my clusters   Paolo Giannozzi
• [Pw_forum] Run ni.scf.in Example   nebiha ben sedrine
  • [Pw_forum] Run ni.scf.in Example   Stefano Baroni
• [Pw_forum] Run ni.scf.in Example   nebiha ben sedrine
  • [Pw_forum] something wrong with vc-relax & relax on my clusters   vega lew
• [Pw_forum] Methods of analyzing chemical bonds   Clark Lee
  • [Pw_forum] Methods of analyzing chemical bonds   Paolo Giannozzi
  • [Pw_forum] Methods of analyzing chemical bonds   Axel Kohlmeyer
  • [Pw_forum] Generating VBC pseudo of Mg with ld1?   merlin meheut
    • [Pw_forum] Generating VBC pseudo of Mg with ld1?   Paolo Giannozzi
      • [Pw_forum] Generating pseudo of Mg with ld1: how to deal with unbound states?   merlin meheut
  • [Pw_forum] How to calculate partial density of phonon states?   preface767 at sina.com
    • [Pw_forum] How to calculate partial density of phonon states?   Eyvaz Isaev
• [Pw_forum] neb   ÇÍÓÇä ÚÑíÞÇÊ
  • [Pw_forum] neb   Axel Kohlmeyer
  • [Pw_forum] questions about intel CPU and vc-relax using bfgs cell optimization   vega lew
    • [Pw_forum] questions about intel CPU and vc-relax using bfgs cell optimization   Axel Kohlmeyer
    • [Pw_forum] questions about intel CPU and vc-relax using bfgs cell optimization   Nicola Marzari
      • [Pw_forum] questions about intel CPU and vc-relax using bfgs cell optimization   Paolo Giannozzi
  • [Pw_forum] questions about intel CPU and vc-relax using bfgs cell optimization   vega lew
    • [Pw_forum] questions about intel CPU and vc-relax using bfgs cell optimization   Axel Kohlmeyer
• [Pw_forum] linking with Intel MKL 10 in Mac OS X   Eduardo Ariel Menendez Proupin
• [Pw_forum] cp.x and "second dimension too small"   Daniele Passerone
  • [Pw_forum] cp.x and "second dimension too small"   Paolo Giannozzi
  • [Pw_forum] How to handle with the I/O wait   vega lew
    • [Pw_forum] How to handle with the I/O wait   Axel Kohlmeyer
      • [Pw_forum] How to handle with the I/O wait   Paolo Giannozzi
• [Pw_forum] EPR g tensor calculation   wangxinquan
  • [Pw_forum] EPR g tensor calculation   Davide Ceresoli
    • [Pw_forum] negative value of polarization and Z* for Pb in Tetragonal PbTiO3 and discrepancy in calculation of   sathya subramanyan
      • [Pw_forum] negative value of polarization and Z* for Pb in Tetragonal PbTiO3 and discrepancy in calculation of   Stefano Baroni
• [Pw_forum] cp.x and "second dimension too small" (Daniele Passerone)   umari at democritos.it
  • [Pw_forum] negative value of polarization and Z* for Pb in Tetragonal PbTiO3   sathya subramanyan
• [Pw_forum] Generating Psuedopotentials   Mark Mazar
• [Pw_forum] mixing_fixed_ns in LDA+U calculation   Han Hsu
  • [Pw_forum] mixing_fixed_ns in LDA+U calculation   Stefano de Gironcoli
  • [Pw_forum] How to using gamma point calculation with high efficiency   vega lew
    • [Pw_forum] How to using gamma point calculation with high efficiency   Axel Kohlmeyer
• [Pw_forum] R-3c symmetry   Fatma Litimein
  • [Pw_forum] R-3c symmetry   Stefano Baroni
  • [Pw_forum] How to using gamma point calculation with high efficiency   vega lew
    • [Pw_forum] How to using gamma point calculation with high efficiency   Stefano Baroni
    • [Pw_forum] How to using gamma point calculation with high efficiency   vega lew
• [Pw_forum] Pseudopotentials   Alessandro Bencini
  • [Pw_forum] Pseudopotentials   Paolo Giannozzi
  • [Pw_forum] How to using gamma point calculation with high efficiency   Janos Kiss
    • [Pw_forum] How to using gamma point calculation with high efficiency   vega lew
    • [Pw_forum] How to using gamma point calculation with high efficiency   Axel Kohlmeyer
• [Pw_forum] Small U for Co in ZnO for LDA+U   Nektarios Lathiotakis
  • [Pw_forum] Small U for Co in ZnO for LDA+U   Nicola Marzari
• [Pw_forum] Small U for Co in ZnO for LDA+U (update)   Nektarios Lathiotakis
  • [Pw_forum] Small U for Co in ZnO for LDA+U (update)   Nicola Marzari
    • [Pw_forum] Small U for Co in ZnO for LDA+U (update)   Matteo Cococcioni
  • [Pw_forum] Small U for Co in ZnO for LDA+U (update)   Matteo Cococcioni
    • [Pw_forum] Small U for Co in ZnO for LDA+U (update)   Nektarios Lathiotakis
      • [Pw_forum] Small U for Co in ZnO for LDA+U (update)   Davide Ceresoli

Last message date: Mon Jun 30 22:17:23 CEST 2008
Archived on: Mon Jun 30 22:17:28 CEST 2008

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