August 2008 Archives by thread

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Starting: Fri Aug 1 01:15:56 CEST 2008
Ending: Sun Aug 31 13:22:01 CEST 2008
Messages: 284

• [Pw_forum] vc-relax with constraint   Axel Kohlmeyer
  • [Pw_forum] vc-relax with constraint   Paolo Giannozzi
  • [Pw_forum] GGA underestimates lattice constant in BaO   Paolo Giannozzi
  • [Pw_forum] GGA underestimates lattice constant in BaO   Munima Bora Sahariah
  • [Pw_forum] GGA underestimates lattice constant in BaO   Hande Ustunel
  • [Pw_forum] GGA underestimates lattice constant in BaO   Munima Bora Sahariah
  • [Pw_forum] GGA underestimates lattice constant in BaO   Hande Ustunel
• [Pw_forum] (no subject)   meisam aghtar
  • [Pw_forum] (no subject)   Stefano Baroni
• [Pw_forum] convergence of relaxation caculation   meisam aghtar
  • [Pw_forum] convergence of relaxation caculation   Hande Ustunel
  • [Pw_forum] convergence of relaxation caculation   Paolo Giannozzi
• [Pw_forum] convergence of relaxation caculation   meisam aghtar
  • [Pw_forum] convergence of relaxation caculation   Hande Ustunel
  • [Pw_forum] convergence of relaxation caculation   Axel Kohlmeyer
  • [Pw_forum] electron-interaction at any given q-point   明文美
  • [Pw_forum] electron-interaction in a given q point   明文美
    • [Pw_forum] electron-interaction in a given q point   Paolo Giannozzi
• [Pw_forum] Electron-phonon calculations in Examples 02 and 07.   Amos Leffler
  • [Pw_forum] Electron-phonon calculations in Examples 02 and 07.   Paolo Giannozzi
  • [Pw_forum] Electron-phonon calculations in Examples 02 and 07.   Stefano de Gironcoli
  • [Pw_forum] spin-polarized calculation in optimizing lattice   明文美
• [Pw_forum] spin-polarized calculation in optimizing lattice   Eyvaz Isaev
• [Pw_forum] (no subject)   Padmaja Patnaik
  • [Pw_forum] (no subject)   Sushil Auluck
  • [Pw_forum] (no subject)   Paolo Giannozzi
• [Pw_forum] dos and pdos   Mansoureh Pashangpour
  • [Pw_forum] dos and pdos   Hande Ustunel
    • [Pw_forum] dos and pdos   Prasenjit Ghosh
• [Pw_forum] dos and pdos   L.F.Huang
• [Pw_forum] Finite electric field calculation   alan chen
  • [Pw_forum] Finite electric field calculation   Nicola Marzari
• [Pw_forum] optimization of any structure   Stefano de Gironcoli
• [Pw_forum] finite electric field calculation (Paolo Umari)   umari at democritos.it
• [Pw_forum] Small U for Co in ZnO for LDA+U   Stefano de Gironcoli
• [Pw_forum] cvs version of espresso   Bipul Rakshit
  • [Pw_forum] cvs version of espresso   Giovanni Cantele
    • [Pw_forum] cvs version of espresso   Bipul Rakshit
      • [Pw_forum] cvs version of espresso   Giovanni Cantele
• [Pw_forum] cvs version of espresso   Eyvaz Isaev
• [Pw_forum] Electron-phonon calculations in Examples 02 and 07.   Amos Leffler
  • [Pw_forum] Electron-phonon calculations in Examples 02 and 07.   Axel Kohlmeyer
• [Pw_forum] relaxation   meisam aghtar
• [Pw_forum] dos for FeO   Mansoureh Pashangpour
• [Pw_forum] fermi level   Bipul Rakshit
  • [Pw_forum] fermi level   Stefano de Gironcoli
    • [Pw_forum] fermi level   mgkrishn at ncsu.edu
    • [Pw_forum] fermi level   vega
      • [Pw_forum] fermi level   J. D. Burton
      • [Pw_forum] fermi level   Eyvaz Isaev
      • [Pw_forum] fermi level   Sushil Auluck
    • [Pw_forum] fhi2upf.f90   ramesh kumar
      • [Pw_forum] fhi2upf.f90   Munima Bora Sahariah
• [Pw_forum] About band structure.   Bipul Rakshit
  • [Pw_forum] About band structure.   Stefano de Gironcoli
    • [Pw_forum] About band structure.   Bipul Rakshit
      • [Pw_forum] About band structure.   Marcel Mohr
      • [Pw_forum] About band structure.   Nicola Marzari
      • [Pw_forum] About band structure.   Hande Ustunel
      • [Pw_forum] About band structure.   Bipul Rakshit
      • [Pw_forum] About band structure.   Hande Ustunel
      • [Pw_forum] About band structure.   Bipul Rakshit
      • [Pw_forum] About band structure.   Marcel Mohr
      • [Pw_forum] About band structure.   lan haiping
• [Pw_forum] About band structure.   Bipul Rakshit
  • [Pw_forum] fhi2upf.f90   ramesh kumar
    • [Pw_forum] fhi2upf.f90   Paolo Giannozzi
• [Pw_forum] Silent Calculations   Miguel Martínez
  • [Pw_forum] Silent Calculations   Eyvaz Isaev
    • [Pw_forum] Silent Calculations   Subhradip Ghosh
      • [Pw_forum] Silent Calculations   Stefano de Gironcoli
      • [Pw_forum] Silent Calculations   Nicola Marzari
    • [Pw_forum] Silent Calculations   Miguel Martínez
  • [Pw_forum] Silent Calculations   S. K. S.
    • [Pw_forum] Silent Calculations   Stefano Baroni
    • [Pw_forum] Silent Calculations   Paolo Giannozzi
    • [Pw_forum] Silent Calculations   S. K. S.
    • [Pw_forum] Silent Calculations   Stefano Baroni
    • [Pw_forum] Silent Calculations   S. K. S.
    • [Pw_forum] Silent Calculations   Paolo Giannozzi
    • [Pw_forum] Silent Calculations   Miguel Martínez
• [Pw_forum] problem releated to calculating elastic constants   premlata pandit
  • [Pw_forum] problem releated to calculating elastic constants   Hande Ustunel
    • [Pw_forum] problem releated to calculating elastic constants   Stefano Baroni
  • [Pw_forum] problem releated to calculating elastic constants   Eyvaz Isaev
• [Pw_forum] elastic constant calculation   premlata pandit
  • [Pw_forum] elastic constant calculation   Eyvaz Isaev
• [Pw_forum] Phonon dos and dispersion calculation problem.   Zhen Huang
  • [Pw_forum] Phonon dos and dispersion calculation problem.   Stefano de Gironcoli
• [Pw_forum] force   ali jalaukhan
  • [Pw_forum] force   Axel Kohlmeyer
    • [Pw_forum] force   Stefano Baroni
    • [Pw_forum] force   j.antonio.montoya at gmail.com
• [Pw_forum] help in using cputimer.c   Rudra Banerjee
  • [Pw_forum] help in using cputimer.c   Paolo Giannozzi
• [Pw_forum] how to visual the lattice consistant use xcrysden ?   wangqj1
  • [Pw_forum] how to visual the lattice consistant use xcrysden ?   Tone Kokalj
  • [Pw_forum] second energy parameter setting in RRKJ USPP   明文美
    • [Pw_forum] second energy parameter setting in RRKJ USPP   Hande Ustunel
    • [Pw_forum] second energy parameter setting in RRKJ USPP   Stefano Baroni
    • [Pw_forum] second energy parameter setting in RRKJ USPP   Prasenjit Ghosh
    • [Pw_forum] second energy parameter setting in RRKJ USPP   Stefano Baroni
    • [Pw_forum] second energy parameter setting in RRKJ USPP   明文美
• [Pw_forum] How to produce supercells with plane and line defects   Nay Lin
  • [Pw_forum] local pseudopotential part construction   明文美
    • [Pw_forum] local pseudopotential part construction   Lorenzo Paulatto
• [Pw_forum] DOS with gnuplot   Mansoureh Pashangpour
  • [Pw_forum] DOS with gnuplot   Eyvaz Isaev
    • [Pw_forum] DOS with gnuplot   Mansoureh Pashangpour
  • [Pw_forum] DOS with gnuplot   Sushil Auluck
• [Pw_forum] Fermi energy in 'scf' and 'nscf'   Guoying Gao
  • [Pw_forum] Fermi energy in 'scf' and 'nscf'   Hande Ustunel
    • [Pw_forum] Fermi energy in 'scf' and 'nscf'   Guoying Gao
• [Pw_forum] plot with gnuplot   Mansoureh Pashangpour
  • [Pw_forum] plot with gnuplot   Lawrence Lee
• [Pw_forum] Fermi energy in 'scf' and 'nscf'(XQ Wang)   wangxinquan
  • [Pw_forum] Fermi energy in 'scf' and 'nscf'(XQ Wang)   Prasenjit Ghosh
    • [Pw_forum] Fermi energy in 'scf' and 'nscf'(XQ Wang)   Hande Ustunel
    • [Pw_forum] Fermi energy in 'scf' and 'nscf'(XQ Wang)   lan haiping
    • [Pw_forum] Fermi energy in 'scf' and 'nscf'(XQ Wang)   Stefano de Gironcoli
    • [Pw_forum] Fermi energy in 'scf' and 'nscf'(XQ Wang)   Sushil Auluck
• [Pw_forum] Wavefunction format documentation for PWSCF version 3.0   Steven Kirk
  • [Pw_forum] Wavefunction format documentation for PWSCF version 3.0   Paolo Giannozzi
• [Pw_forum] vc-relax in the presence of finite electric field   alan chen
• [Pw_forum] npwx in pwscf v.4.0   Peter Winey
  • [Pw_forum] npwx in pwscf v.4.0   Eyvaz Isaev
    • [Pw_forum] npwx in pwscf v.4.0   Peter Winey
• [Pw_forum] IOTK library   alan chen
  • [Pw_forum] IOTK library   Paolo Giannozzi
• [Pw_forum] Fermi energy in 'scf' and 'nscf'(XQ Wang)   wangxinquan
• [Pw_forum] how to generate gipaw-pseudopotentials   only1xiaoyuan
  • [Pw_forum] how to generate gipaw-pseudopotentials   Hande Ustunel
  • [Pw_forum] how to generate gipaw-pseudopotentials   Ari P Seitsonen
• [Pw_forum] fermi level (XQ Wang)   wangxinquan
  • [Pw_forum] fermi level (XQ Wang)   lan haiping
• [Pw_forum] how to generate gipaw-peseudopotentials(Yuan Wang)   only1xiaoyuan
• [Pw_forum] about davcio error   only1xiaoyuan
  • [Pw_forum] about davcio error   Paolo Giannozzi
• [Pw_forum] fermi level (XQ Wang)   wangxinquan
  • [Pw_forum] fermi level (XQ Wang)   Eyvaz Isaev
    • [Pw_forum] fermi level (XQ Wang)   Stefano Baroni
    • [Pw_forum] Update Bibliography   Eyvaz Isaev
• [Pw_forum] fermi level (XQ Wang)   Lazaro Calderin
  • [Pw_forum] fermi level   vega
• [Pw_forum] Problems with Espresso-4.0.1   Amos Leffler
  • [Pw_forum] Problems with Espresso-4.0.1   Paolo Giannozzi
• [Pw_forum] impurity   Mansoureh Pashangpour
  • [Pw_forum] impurity   Stefano Baroni
• [Pw_forum] fermi level(XQ Wang)   wangxinquan
  • [Pw_forum] fermi level(XQ Wang)   Eyvaz Isaev
• [Pw_forum] error   zahra sadat naghavi
  • [Pw_forum] error   Eyvaz Isaev
• [Pw_forum] pw2casino difficulty   lshulenburger at ciw.edu
  • [Pw_forum] pw2casino difficulty   Paolo Giannozzi
  • [Pw_forum] pw2casino difficulty   lshulenburger at ciw.edu
  • [Pw_forum] pw2casino difficulty   Paolo Giannozzi
• [Pw_forum] pseudopotential for lithium   Guoying Gao
  • [Pw_forum] pseudopotential for lithium   Paolo Giannozzi
• [Pw_forum] question on Nonlinear core correction   Guoying Gao
  • [Pw_forum] question on Nonlinear core correction   Stefano Baroni
• [Pw_forum] The resulte of optimizing the ZnO lattice constant use vc-relax   wangqj1
  • [Pw_forum] The resulte of optimizing the ZnO lattice constant use vc-relax   Eyvaz Isaev
• [Pw_forum] question on Nonlinear core correction   L.F.Huang
• [Pw_forum] Site Occupancy   Ahmet Cicek
  • [Pw_forum] Site Occupancy   Eyvaz Isaev
  • [Pw_forum] Site Occupancy   Lazaro Calderin
    • [Pw_forum] Restarting ph.x in version 4.0.1   Deepa Kasinathan
      • [Pw_forum] Restarting ph.x in version 4.0.1   Prasenjit Ghosh
      • [Pw_forum] Restarting ph.x in version 4.0.1   Eyvaz Isaev
• [Pw_forum] projwfc problem: sum of pdos doesn't match total dos   stewart at cnf.cornell.edu
  • [Pw_forum] projwfc problem: sum of pdos doesn't match total dos   J. D. Burton
    • [Pw_forum] projwfc problem: sum of pdos doesn't match total dos   stewart at cnf.cornell.edu
      • [Pw_forum] projwfc problem: sum of pdos doesn't match total dos   Lazaro Calderin
      • [Pw_forum] projwfc problem: sum of pdos doesn't match total dos   J. D. Burton
      • [Pw_forum] projwfc problem: sum of pdos doesn't match total dos   stewart at cnf.cornell.edu
      • [Pw_forum] projwfc problem: sum of pdos doesn't match total dos   J. D. Burton
      • [Pw_forum] projwfc problem: sum of pdos doesn't match total dos   stewart at cnf.cornell.edu
      • [Pw_forum] projwfc problem: sum of pdos doesn't match total dos   Paolo Giannozzi
• [Pw_forum] about PDOS   Bipul Rakshit
  • [Pw_forum] about PDOS   Eyvaz Isaev
    • [Pw_forum] about PDOS   Stefano Baroni
• [Pw_forum] The corresponding electronic state of the band gap.   Hongsheng Zhao
  • [Pw_forum] The corresponding electronic state of the band gap.   Paolo Giannozzi
• [Pw_forum] Hybrid functional calcualtion!   Adrain Zhou
  • [Pw_forum] Hybrid functional calcualtion!   Stefano de Gironcoli
• [Pw_forum] Lattice constant optimize   wangqj1
  • [Pw_forum] Lattice constant optimize   Eyvaz Isaev
• [Pw_forum] phcg in espresso-4.0.1   pysdw at bath.ac.uk
  • [Pw_forum] phcg in espresso-4.0.1   Paolo Giannozzi
• [Pw_forum] The difference between vc-relax and relax .   wangqj1
  • [Pw_forum] The difference between vc-relax and relax .   Javier Antonio Montoya
  • [Pw_forum] The difference between vc-relax and relax .   Eyvaz Isaev
• [Pw_forum] question about example 22   Fan Yang
• [Pw_forum] question about example 22   Andrea Dal Corso
• [Pw_forum] output of fildrho   Munima Bora Sahariah
  • [Pw_forum] output of fildrho   Paolo Giannozzi
• [Pw_forum] awin in average.x   penghua
  • [Pw_forum] awin in average.x   Hande Ustunel
    • [Pw_forum] awin in average.x   penghua
    • [Pw_forum] awin in average.x   Hande Ustunel
• [Pw_forum] spin orbit   ali kazempoor
  • [Pw_forum] spin orbit   Cyrille Barreteau
• [Pw_forum] impurity   Mansoureh Pashangpour
• No subject  
• No subject  
• No subject  
• No subject  
• [Pw_forum] Pseudopotential GGA Co with spin orbit   Álvaro Alves
• [Pw_forum] lelfield and lberry   alan chen
• [Pw_forum] poor k-points convergence, ghost states ?   Eduardo Ariel Menendez Proupin
• [Pw_forum] about one "fatal error"   L.F.Huang
  • [Pw_forum] about one "fatal error"   stewart at cnf.cornell.edu
    • [Pw_forum] about one "fatal error"   Paolo Giannozzi
• [Pw_forum] about charge density   wangqj1
  • [Pw_forum] about charge density   Hongsheng Zhao
• [Pw_forum] about grid_gather error   only1xiaoyuan
  • [Pw_forum] about grid_gather error   Ari P Seitsonen
• [Pw_forum] Why uspp Hf has the p state weights in pdos analysis?   Hongsheng Zhao
  • [Pw_forum] Why uspp Hf has the p state weights in pdos analysis?   Lorenzo Paulatto
• [Pw_forum] lelfield and lberry (P Umari)   umari at democritos.it
• [Pw_forum] (no subject)   Anna Maria Ferrari
  • [Pw_forum] (no subject)   Lorenzo Paulatto
• [Pw_forum] Pw_forum Digest, Vol 14, Issue 46   L.F.Huang
  • [Pw_forum] NiMnSb calculations   ramesh kumar
    • [Pw_forum] NiMnSb calculations   Maria Peressi
• [Pw_forum] Phonon calculation at high pressure   Bipul Rakshit
  • [Pw_forum] Phonon calculation at high pressure   Eyvaz Isaev
    • [Pw_forum] Phonon calculation at high pressure   Bipul Rakshit
  • [Pw_forum] fluctuations in bands of phonon linewidth   明文美
  • [Pw_forum] Pw_forum Digest   wangqiang
    • [Pw_forum] bands_FS   Eyvaz Isaev
• [Pw_forum] (no subject)   Anna Maria Ferrari
  • [Pw_forum] (no subject)   Eyvaz Isaev
    • [Pw_forum] (no subject)   Paolo Giannozzi
    • [Pw_forum] (no subject)   anna.ferrari at unito.it
• [Pw_forum] vc-relax   alan chen
  • [Pw_forum] vc-relax   Lorenzo Paulatto
    • [Pw_forum] vc-relax   Paolo Giannozzi
• [Pw_forum] cg in molecular dynamics   Mansoureh Pashangpour
  • [Pw_forum] Pw_forum Digest, Vol 14, Issue 49   wangqiang
  • [Pw_forum] something strange in rutile and anatase calculation   vega
    • [Pw_forum] something strange in rutile and anatase calculation   Nicola Marzari
      • [Pw_forum] something strange in rutile and anatase calculation   Eyvaz Isaev
      • [Pw_forum] something strange in rutile and anatase calculation   vega
      • [Pw_forum] something strange in rutile and anatase calculation   Eyvaz Isaev
      • [Pw_forum] something strange in rutile and anatase calculation   vega
      • [Pw_forum] something strange in rutile and anatase calculation   Eyvaz Isaev
      • [Pw_forum] something strange in rutile and anatase calculation   vega
      • [Pw_forum] something strange in rutile and anatase calculation   Eyvaz Isaev
      • [Pw_forum] something strange in rutile and anatase calculation   vega
      • [Pw_forum] something strange in rutile and anatase calculation   vega
    • [Pw_forum] something strange in rutile and anatase calculation   willy kohn
      • [Pw_forum] something strange in rutile and anatase calculation   Eyvaz Isaev
      • [Pw_forum] something strange in rutile and anatase calculation   vega
      • [Pw_forum] something strange in rutile and anatase calculation   vega
  • [Pw_forum] U calculation.   wangqiang
    • [Pw_forum] U calculation.   Nicola Marzari
• [Pw_forum] about one "fatal error"   L.F.Huang
• [Pw_forum] relax   anna.ferrari at unito.it
  • [Pw_forum] relax   Eyvaz Isaev
    • [Pw_forum] relax   anna.ferrari at unito.it
      • [Pw_forum] relax   Eyvaz Isaev
      • [Pw_forum] relax   Paolo Giannozzi
      • [Pw_forum] relax   anna.ferrari at unito.it
      • [Pw_forum] relax   Eyvaz Isaev
• [Pw_forum] (no subject)   anna.ferrari at unito.it
  • [Pw_forum] (no subject)   Hande Ustunel
    • [Pw_forum] (no subject)   anna.ferrari at unito.it
    • [Pw_forum] (no subject)   Hande Ustunel
  • [Pw_forum] (no subject)   Eyvaz Isaev
    • [Pw_forum] (no subject)   anna.ferrari at unito.it
      • [Pw_forum] (no subject)   Paolo Giannozzi
      • [Pw_forum] (no subject)   Eyvaz Isaev
    • [Pw_forum] (pseudo)   anna.ferrari at unito.it
  • [Pw_forum] question about complex band code   Manoj Srivastava
• [Pw_forum] how to extract the eigenval with bands.x   wangqj1
  • [Pw_forum] something strange in rutile and anatase calculation   vega
    • [Pw_forum] something strange in rutile and anatase calculation   Axel Kohlmeyer
• [Pw_forum] Unit of charge density   Dong-Hee Lim
• [Pw_forum] anisotropy energy   ali kazempoor
  • [Pw_forum] anisotropy energy   vega
• [Pw_forum] (no subject)   anna.ferrari at unito.it
  • [Pw_forum] (no subject)   vega
  • [Pw_forum] The scf calculation is not converged   vega

Last message date: Sun Aug 31 13:22:01 CEST 2008
Archived on: Tue Nov 18 22:12:59 CET 2008

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