July 2005 Archives by thread

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Starting: Fri Jul 1 04:48:33 CEST 2005
Ending: Thu Jul 28 17:30:46 CEST 2005
Messages: 150

• [Pw_forum] Noncollinear magnetism   W. YU
  • [Pw_forum] Noncollinear magnetism   Andrea Dal Corso
  • [Pw_forum] about structural optimization   sun jason
    • [Pw_forum] about structural optimization   Stefano de Gironcoli
• [Pw_forum] espresso 2.1.4 and ifc8.1.024   Patricia Paredes
  • [Pw_forum] espresso 2.1.4 and ifc8.1.024   Axel Kohlmeyer
• [Pw_forum] VC-Relaxation   Diep Vinh Quang
  • [Pw_forum] VC-Relaxation   Diep Vinh Quang
• [Pw_forum] espresso 2.1.4 and ifc8.1.024   Patricia Paredes
  • [Pw_forum] espresso 2.1.4 and ifc8.1.024   Axel Kohlmeyer
  • [Pw_forum] espresso 2.1.4 and ifc8.1.024   Patricia Paredes
    • [Pw_forum] espresso 2.1.4 and ifc8.1.024   Nicola Marzari
      • [Pw_forum] espresso 2.1.4 and ifc8.1.024   Patricia Paredes
      • [Pw_forum] espresso 2.1.4 and ifc8.1.024   Nicola Marzari
      • [Pw_forum] espresso 2.1.4 and ifc8.1.024   Patricia Paredes
    • [Pw_forum] espresso 2.1.4 and ifc8.1.024   Paolo Giannozzi
• [Pw_forum] espresso 2.1.4 and ifc8.1.024   Patricia Paredes
• [Pw_forum] i/o error in davcio in the phonon calculation   Jian ZHOU
  • [Pw_forum] FLUSH--FAILED:: Bad address   Cyrille Barreteau
• [Pw_forum] Understanding "eband" & "deband" in "total energy"   Mousumi Upadhyay Kahaly
• [Pw_forum] dynamics (vc-md) error!   临 住
• [Pw_forum] negative lambda   Aritz Leonardo
• [Pw_forum] Re. from total energy to cohesive energy   Yong Jiang
  • [Pw_forum] Re. from total energy to cohesive energy   Stefano de Gironcoli
  • [Pw_forum] Re: Understanding "eband" & "deband" in "total energy"   Guido Fratesi
• [Pw_forum] configure problems   Jigang Zhang
  • [Pw_forum] configure problems   Eyvaz Isaev
• [Pw_forum] lambda   Aritz Leonardo
• [Pw_forum] pseudopotential of Ba and Ti   Jian ZHOU
  • [Pw_forum] pseudopotential of Ba and Ti   Paolo Giannozzi
  • [Pw_forum] about energy gap   sun jason
    • [Pw_forum] about energy gap   Stefano de Gironcoli
  • [Pw_forum] about phonon calculation   sun jason
    • [Pw_forum] about phonon calculation   Eyvaz Isaev
    • [Pw_forum] about phonon calculation   Stefano de Gironcoli
  • [Pw_forum] RE: Pw_forum digest, Vol 1 #685 - 6 msgs   sun jason
• [Pw_forum] lambda   Aritz Leonardo
  • [Pw_forum] lambda   Paolo Giannozzi
• [Pw_forum] pseudopotential in phonon calculation   Ruijuan Xiao
  • [Pw_forum] pseudopotential in phonon calculation   Guido Roma
• [Pw_forum] how to calculate the polarization of a crystal by berry phase   Jian ZHOU
  • [Pw_forum] What is the different between Born effective charge and effective   Diep Vinh Quang
    • [Pw_forum] SCF not stop when it reaches the default conv_thr   Yong Jiang
      • [Pw_forum] SCF not stop when it reaches the default conv_thr   Stefano de Gironcoli
      • [Pw_forum] Fermi Surface   Eyvaz Isaev
      • [Pw_forum] Fermi Surface   Paolo Giannozzi
    • [Pw_forum] What is the different between Born effective charge and effective   Paolo Giannozzi
• [Pw_forum] pseudopotential in phonon calculation   Ruijuan Xiao
• [Pw_forum] Functionals, pseudopotentials, etc. for H2O ice   Steven Kirk
  • [Pw_forum] Acousic Sum rule   Diep Vinh Quang
    • [Pw_forum] Functionals, pseudopotentials, etc. for H2O ice   Axel Kohlmeyer
    • [Pw_forum] Functionals, pseudopotentials, etc. for H2O ice   Nicola Marzari
    • [Pw_forum] Functionals, pseudopotentials, etc. for H2O ice   Konstantin Kudin
  • [Pw_forum] about band gap   sun jason
  • [Pw_forum] RE: Pw_forum digest, Vol 1 #686 - 7 msgs-about phonon calculation   sun jason
• [Pw_forum] problems while running examples in LAM-MPI   yay451 at mail.usask.ca
  • [Pw_forum] about phonon and structural optimization   sun jason
    • [Pw_forum] about phonon and structural optimization   Eyvaz Isaev
      • [Pw_forum] about phonon and structural optimization   Paolo Giannozzi
      • [Pw_forum] About phonon calculation and IR   Diep Vinh Quang
      • [Pw_forum] About phonon calculation and IR   Paolo Giannozzi
      • [Pw_forum] FS construction   Eyvaz Isaev
      • [Pw_forum] Functionals, pseudopotentials, etc. for H2O ice   Axel Kohlmeyer
  • [Pw_forum] Questions on phonon calculation of MgB2   张 洪彬
    • [Pw_forum] Questions on phonon calculation of MgB2   Paolo Giannozzi
• [Pw_forum] Autopilot Feature Suite   Atkinson, Lee
• [Pw_forum] ??? marks in ELF analysis   Mousumi Upadhyay Kahaly
  • [Pw_forum] ??? marks in ELF analysis   Paolo Giannozzi
  • [Pw_forum] FLUSH--FAILED:: Bad address   Cyrille Barreteau
  • [Pw_forum] RE: Questions on phonon calculation of MgB2   张 洪彬
    • [Pw_forum] RE: Questions on phonon calculation of MgB2   Stefano de Gironcoli
• [Pw_forum] why phonon calc stops at the first mode   Yong Jiang
  • [Pw_forum] why phonon calc stops at the first mode   Paolo Giannozzi
    • [Pw_forum] why phonon calc stops at the first mode   Yong Jiang
      • [Pw_forum] why phonon calc stops at the first mode   Yong Jiang
      • [Pw_forum] why phonon calc stops at the first mode   Eyvaz Isaev
• [Pw_forum] negative charge density!   Mousumi Upadhyay Kahaly
  • [Pw_forum] negative charge density!   Paolo Giannozzi
• [Pw_forum] spherical avarage of the charge density   Dariusz Chrobak
  • [Pw_forum] spherical avarage of the charge density   Paolo Giannozzi
• [Pw_forum] Psuedopotential generator of José-Luís Martins   Shihn Lun
  • [Pw_forum] Psuedopotential generator of José-Luís Martins   Paolo Giannozzi
• [Pw_forum] negative charge density!   Mousumi Upadhyay Kahaly
  • [Pw_forum] negative charge density!   Eyvaz Isaev
    • [Pw_forum] negative charge density!   Mousumi Upadhyay Kahaly
      • [Pw_forum] negative charge density!   Eyvaz Isaev
      • [Pw_forum] negative charge density!   Mousumi Upadhyay Kahaly
      • [Pw_forum] negative charge density!   Stefano de Gironcoli
• [Pw_forum] Distribution of the memory when use -npool option   Sergey Lisenkov
  • [Pw_forum] Distribution of the memory when use -npool option   sbraccia carlo
    • [Pw_forum] Distribution of the memory when use -npool option   Sergey Lisenkov
• [Pw_forum] Convert FHI Pseudopotential to UPF   Shihn Lun
  • [Pw_forum] Convert FHI Pseudopotential to UPF   Paolo Giannozzi
  • [Pw_forum] Some simple questions on phonon calculation results.   张 洪彬
    • [Pw_forum] Some simple questions on phonon calculation results.   Paolo Giannozzi
  • [Pw_forum] Electron-phonon coupling   Adeagbo Waheed Adeniyi
  • [PW_Forum] Phonon Calculation Problem   John B Burdette
    • [PW_Forum] Phonon Calculation Problem   Paolo Giannozzi
• [Pw_forum] Re: FHI pseudopotential   Paolo Giannozzi
• [Pw_forum] Fwd: Re: Segmentation fault with Setting 2 --- follow-up of Re. ATOMIC_POSITIONS   Paolo Giannozzi
  • [Pw_forum] RE: Some simple questions on phonon calculation results.   张 洪彬
    • [Pw_forum] RE: Some simple questions on phonon calculation results.   Paolo Giannozzi
      • [Pw_forum] RE: Some simple questions on phonon calculation results.   Eyvaz Isaev
  • [Pw_forum] [PW_Forum]Electron-phonon coupling   Adeagbo Waheed Adeniyi
• [Pw_forum] Slab calculation.   Katawut Chuasiripattana
• [Pw_forum] Pt pseudopotential from atomic code   Sergey Lisenkov
  • [Pw_forum] Pt pseudopotential from atomic code   Andrea Dal Corso
  • [Pw_forum] Pt pseudopotential from atomic code   Sergey Lisenkov
  • [Pw_forum] Pt pseudopotential from atomic code   Sergey Lisenkov
  • [Pw_forum] Pt pseudopotential from atomic code   Paolo Giannozzi
  • [Pw_forum] Pt pseudopotential from atomic code   Sergey Lisenkov
  • [Pw_forum] Pt pseudopotential from atomic code   Andrea Dal Corso
• [Pw_forum] Error during CP calculations   Sergey Lisenkov
  • [Pw_forum] Error during CP calculations   Axel Kohlmeyer
• [Pw_forum] How to relax the HCP type structures?   Yi Kong
• [Pw_forum] problem getting electronuc dipole moment   Mousumi Upadhyay Kahaly
  • [Pw_forum] problem getting electronuc dipole moment   Axel Kohlmeyer
  • [Pw_forum] problem getting electronuc dipole moment   Mousumi Upadhyay Kahaly
  • [Pw_forum] problem getting electronuc dipole moment   Andrea Dal Corso
  • [Pw_forum] problem getting electronuc dipole moment   Mousumi Upadhyay Kahaly
  • [Pw_forum] problem getting electronuc dipole moment   Paolo Giannozzi
  • [Pw_forum] Errors in PW.x calculation   John B Burdette
    • [Pw_forum] Errors in PW.x calculation   Paolo Giannozzi
  • [Pw_forum] Errors in PW.x calculation   John B Burdette
    • [Pw_forum] Errors in PW.x calculation   Paolo Giannozzi
  • [Pw_forum] about energy gap   sun jason
• [Pw_forum] Diropn   Alessandro Stroppa
  • [Pw_forum] Diropn   Paolo Giannozzi
• [Pw_forum] non-diagonalized stress on Chromium spinel   Marino Vetuschi Zuccolini
  • [Pw_forum] non-diagonalized stress on Chromium spinel   Paolo Giannozzi
• [Pw_forum] a question about phonon calculation   胡朝浩
  • [Pw_forum] a question about phonon calculation   Eyvaz Isaev
• [Pw_forum] CP & the cpu time limit   Konstantin Kudin
  • [Pw_forum] CP & the cpu time limit   Paolo Giannozzi
• [Pw_forum] a question about zero point energy   胡朝浩
  • [Pw_forum] a question about zero point energy   Stefano Baroni
  • [Pw_forum] Simulated annealing   Diep Vinh Quang
  • [Pw_forum] Simulated annealing   Yonas Abraham
  • [Pw_forum] Simulated annealing   Paolo Giannozzi
  • [Pw_forum] Simulated annealing   Stefano Baroni
  • [Pw_forum] Simulated annealing   Yonas Abraham
  • [Pw_forum] Bands plot.   Nitya Nath
• [Pw_forum] a question about calculating free energy   Chaohao Hu
  • [Pw_forum] a question about calculating free energy   Eyvaz Isaev
• [Pw_forum] Re: Re: [Pw_forum] a question about calculating free energy   Chaohao Hu
  • [Pw_forum] ibrav=0 vs. other choices in CP   Konstantin Kudin
    • [Pw_forum] ibrav=0 vs. other choices in CP   Paolo Giannozzi
  • [Pw_forum] Question on phonon calculation of MgB2.   张 洪彬
    • [Pw_forum] Question on phonon calculation of MgB2.   Paolo Giannozzi
• [Pw_forum] fpmd.x questions...   Matt Small

Last message date: Thu Jul 28 17:30:46 CEST 2005
Archived on: Tue Jul 10 14:23:55 CEST 2007

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