January 2006 Archives by thread

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Starting: Sun Jan 1 02:40:42 CET 2006
Ending: Tue Jan 31 23:06:05 CET 2006
Messages: 153

• [Pw_forum] 回复： Re: [Pw_forum] questions about the ph.x   li yan
• [Pw_forum] negtive values for TA when using q2r.x   li yan
  • [Pw_forum] negtive values for TA when using q2r.x   Paolo Giannozzi
    • [Pw_forum] Voronoi polyhedra volume   Konstantin Kudin
      • [Pw_forum] Voronoi polyhedra volume   Nicola Marzari
      • [Pw_forum] Voronoi polyhedra volume   Goranka Bilalbegovic
      • [Pw_forum] Voronoi polyhedra volume   Konstantin Kudin
    • [Pw_forum] negtive values for TA when using q2r.x   Katalin Gaal-Nagy
      • [Pw_forum] 回复： Re: [Pw_forum] negtive values for TA when using q2r.x   li yan
      • [Pw_forum] »Ø¸´£º Re: [Pw_forum] negtive values for TA when using q2r.x   Eyvaz Isaev
      • [Pw_forum] Re: [Pw_forum] »Ø¸´£º Re: [Pw_forum] negtive values for TA when using q2r.x   Katalin Gaal-Nagy
      • [Pw_forum] Re: [Pw_forum] »Ø¸´£º Re: [Pw_forum] negtive values for TA when using q2r.x   Eyvaz Isaev
      • [Pw_forum] Re: [Pw_forum] Re: [Pw_forum] »Ø¸´£º Re: [Pw_forum] negtive values for TA when using q2r.x   Katalin Gaal-Nagy
      • [Pw_forum] 回复： Re: [Pw_forum] negtive values for TA when using q2r.x   Katalin Gaal-Nagy
• [Pw_forum] Question on the pseudopotential generation using LD1   张 洪彬
  • [Pw_forum] Question on the pseudopotential generation using LD1   张 洪彬
    • [Pw_forum] Question on the pseudopotential generation using LD1   Paolo Giannozzi
• [Pw_forum] parallel in q2r.x   sun jason
  • [Pw_forum] parallel in q2r.x   Paolo Giannozzi
• [Pw_forum] Spin-orbital effects and relativistic US-PPs   Shujun Hu
  • [Pw_forum] Spin-orbital effects and relativistic US-PPs   Paolo Giannozzi
    • [Pw_forum] 回复： Re: [Pw_forum] Spin-orbital effects and relativistic US-PPs   li yan
      • [Pw_forum] 回复： Re: [Pw_forum] Spin-orbital effects and relativistic US-PPs   Paolo Giannozzi
  • [Pw_forum] Spin-orbital effects and relativistic US-PPs   Shujun Hu
• [Pw_forum] About neb and smd   Yosuke Kanai (ykanai at Princeton.EDU)
  • [Pw_forum] About neb and smd   Katalin Gaal-Nagy
  • [Pw_forum] About neb and smd   hqzhou at nju.edu.cn
  • [Pw_forum] About neb and smd   Stefano Baroni
• [Pw_forum] variable-cell optimizations   Nichols A. Romero
  • [Pw_forum] variable-cell optimizations   Paolo Giannozzi
    • [Pw_forum] variable-cell optimizations   Sergey Lisenkov
      • [Pw_forum] variable-cell optimizations   Paolo Giannozzi
      • [Pw_forum] more on variable-cell optimizations   Lilia Boeri
      • [Pw_forum] more on variable-cell optimizations   Paolo Giannozzi
• [Pw_forum] alkali metal pseudopotentials   Paolo Giannozzi
  • [Pw_forum] alkali metal pseudopotentials   Paolo Giannozzi
  • [Pw_forum] alkali metal pseudopotentials   Katalin Gaal-Nagy
• [Pw_forum] which file is a must for continueing ph.x run if time_max is reached?   Konzern
  • [Pw_forum] which file is a must for continueing ph.x run if time_max is reached?   Paolo Giannozzi
    • [Pw_forum] which file is a must for continueing ph.x run if time_max is reached?   Konstantin Kudin
      • [Pw_forum] which file is a must for continueing ph.x run if time_max is reached?   Paolo Giannozzi
      • [Pw_forum] which file is a must for continueing ph.x run if time_max is reached?   Gerardo Ballabio
• [Pw_forum] phonon modes assignment and others   W. YU
  • [Pw_forum] Variable-cell optimization with constraints   Natalie Holzwarth
    • [Pw_forum] Variable-cell optimization with constraints   Paolo Giannozzi
      • [Pw_forum] Variable-cell optimization with constraints   Yonas Abraham
      • [Pw_forum] Variable-cell optimization with constraints   Paolo Giannozzi
  • [Pw_forum] phonon modes assignment and others   Paolo Giannozzi
    • [Pw_forum] phonon modes assignment and others   Eyvaz Isaev
• [Pw_forum] about born effective charge tensors   sun jason
  • [Pw_forum] about born effective charge tensors   hai wang
  • [Pw_forum] about born effective charge tensors   Paolo Giannozzi
    • [Pw_forum] syntax error   Pingo Mutombo
      • [Pw_forum] syntax error   Paolo Giannozzi
  • [Pw_forum] about born effective charge tensors   Resul Eryigit
• [Pw_forum] about phonon calculations   Gabriele Sclauzero
• [Pw_forum] cp with metals   Nichols A. Romero
  • [Pw_forum] cp with metals   Nicola Marzari
• [Pw_forum] Re: phonon modes assignment and others   W. YU
  • [Pw_forum] Re: phonon modes assignment and others   Stefano de Gironcoli
• [Pw_forum] Comparison between PWSCFand WanT?   yuss at jlu.edu.cn
  • [Pw_forum] Comparison between PWSCFand WanT?   Andrea Ferretti
• [Pw_forum] symmetries in pw.x   Andrea Ferretti
  • [Pw_forum] symmetries in pw.x   Paolo Giannozzi
    • [Pw_forum] Run-time error with pw.x when compiled with Intel 9.0   stewart at cnf.cornell.edu
      • [Pw_forum] Run-time error with pw.x when compiled with Intel 9.0   Sergey Lisenkov
      • [Pw_forum] Re: Run-time error with pw.x when compiled with Intel 9.0   stewart at cnf.cornell.edu
• [Pw_forum] BO dynamics in CP code   Nichols A. Romero
• [Pw_forum] Be pseudopotential   Chaohao Hu
• [Pw_forum] problem with ph.x   Paolo Giannozzi
  • [Pw_forum] problem with ph.x   Gabriele Sclauzero
    • [Pw_forum] problem with ph.x   Paolo Giannozzi
• [Pw_forum] phonon branch crossing problem   W. YU
  • [Pw_forum] phonon branch crossing problem   Paolo Giannozzi
• [Pw_forum] difference from the output of dynmat.x and Phonon dyn file   W. YU
  • [Pw_forum] difference from the output of dynmat.x and Phonon dyn file   Paolo Giannozzi
• [Pw_forum] execution error   Aritz Leonardo
  • [Pw_forum] execution error   Paolo Giannozzi
  • [Pw_forum] execution error   Axel Kohlmeyer
  • [Pw_forum] execution error   Gerardo Ballabio
  • [Pw_forum] execution error   Aritz Leonardo
    • [Pw_forum] execution error   Paolo Giannozzi
    • [Pw_forum] execution error   Axel Kohlmeyer
  • [Pw_forum] execution error   Aritz Leonardo
• [Pw_forum] (no subject)   Alain Allouche
  • [Pw_forum] (no subject)   Axel Kohlmeyer
    • [Pw_forum] (no subject)   Paolo Giannozzi
• [Pw_forum] temperature control in PWscf   Eric Schwegler
• [Fwd: Re: [Pw_forum] execution error]   Aritz Leonardo
  • [Fwd: Re: [Pw_forum] execution error]   Marino Vetuschi Zuccolini
• [Pw_forum] ph.x does not react on prefix.EXIT   Henning Glawe
  • [Pw_forum] ph.x does not react on prefix.EXIT   Paolo Giannozzi
• [Pw_forum] For INPUT of WanT   yuss
  • [Pw_forum] For INPUT of WanT   Andrea Ferretti
• [Pw_forum] PWcond: parallel exec. failure?   Gabriele Sclauzero
  • [Pw_forum] PWcond: parallel exec. failure?   Paolo Giannozzi
• [Pw_forum] CVS and PAW   Yonas Abraham
  • [Pw_forum] CVS and PAW   Axel Kohlmeyer
    • [Pw_forum] CVS and PAW   Yonas Abraham
      • [Pw_forum] CVS and PAW   Axel Kohlmeyer
• [Pw_forum] speeding up vc-relax   Nichols A. Romero
  • [Pw_forum] speeding up vc-relax   Paolo Giannozzi
    • [Pw_forum] speeding up vc-relax   Nichols A. Romero
    • [Pw_forum] speeding up vc-relax   Nicola Marzari
• [Pw_forum] Why is different bewteen example12 of PWSCF and test08 of WanT?   yuss at jlu.edu.cn
  • [Pw_forum] Why is different bewteen example12 of PWSCF and test08 of WanT?   Andrea Ferretti
• [Pw_forum] Pressure calculations with 2 different versions   merlin.meheut at lmcp.jussieu.fr
  • [Pw_forum] Pressure calculations with 2 different versions   Paolo Giannozzi
• [Pw_forum] compiling e-3.0 on HP   Sergey Lisenkov
  • [Pw_forum] compiling e-3.0 on HP   Paolo Giannozzi
    • [Pw_forum] compiling e-3.0 on HP   Sergey Lisenkov
    • [Pw_forum] compiling e-3.0 on HP   Sergey Lisenkov
      • [Pw_forum] compiling e-3.0 on HP   Paolo Giannozzi
• [Pw_forum] problems with phonon dispersion   W. YU
  • [Pw_forum] problems with phonon dispersion   Eyvaz Isaev
  • [Pw_forum] problems with phonon dispersion   W. YU
• [Pw_forum] espresso3.0 different results in serial and paralelle mode...   Cyrille Barreteau
  • [Pw_forum] espresso3.0 different results in serial and paralelle mode...   Gerardo Ballabio
    • [Pw_forum] espresso3.0 different results in serial andparalelle mode...   Cyrille Barreteau
      • [Pw_forum] espresso3.0 different results in serial and paralel mode...   Konstantin Kudin
      • [Pw_forum] espresso3.0 different results in serial and paralel mode...   Cyrille Barreteau
      • [Pw_forum] espresso3.0 different results in serial and paralel mode...   Paolo Giannozzi
      • [Pw_forum] espresso3.0 different results in serial and paralel mode...   Konstantin Kudin
      • [Pw_forum] espresso3.0 different results in serial and paralel mode...   Paolo Giannozzi
• [Pw_forum] convergence NOT achieved, stopping   You Lin
  • [Pw_forum] Re: convergence NOT achieved, stopping   stewart at cnf.cornell.edu
    • [Pw_forum] Re: convergence NOT achieved, stopping   You Lin
      • [Pw_forum] Re: convergence NOT achieved, stopping   You Lin
      • [Pw_forum] Re: convergence NOT achieved, stopping   Paolo Giannozzi
      • [Pw_forum] Re: convergence NOT achieved, stopping   You Lin
  • [Pw_forum] convergence NOT achieved, stopping   Eyvaz Isaev
• [Pw_forum] vc-md question   Miguel Martínez Canales
  • [Pw_forum] vc-md question   Paolo Giannozzi
    • [Pw_forum] vc-md question   Guido Roma
    • [Pw_forum] vc-md question P.S.:   Guido Roma
    • [Pw_forum] vc-md question   Miguel Martínez Canales
      • [Pw_forum] vc-md question   Paolo Giannozzi
      • [Pw_forum] vc-md question   Miguel Martínez Canales
      • [Pw_forum] vc-md question   Paolo Giannozzi
      • [Pw_forum] vc-md question   Stefano de Gironcoli
      • [Pw_forum] vc-md question   Miguel Martinez
      • [Pw_forum] Espresso and OpenMPI   Konstantin Kudin
• [Pw_forum] Pressure calculations at gamma (version espresso 2.1.4)   merlin.meheut at lmcp.jussieu.fr
  • [Pw_forum] Pressure calculations at gamma (version espresso 2.1.4)   Eyvaz Isaev
  • [Pw_forum] Pressure calculations at gamma (version espresso 2.1.4)   Paolo Giannozzi
• [Pw_forum] PWSCF 3.0 and XCrysDen 1.4.1   Nichols A. Romero
  • [Pw_forum] FFT & MPI - issues with latency   Konstantin Kudin
    • [Pw_forum] FFT & MPI - issues with latency   Axel Kohlmeyer
      • [Pw_forum] FFT & MPI - issues with latency   Nicola Marzari
      • [Pw_forum] FFT & MPI - issues with latency   Konstantin Kudin
      • [Pw_forum] FFT & MPI - issues with latency   Axel Kohlmeyer
  • [Pw_forum] PWSCF 3.0 and XCrysDen 1.4.1   Paolo Giannozzi
    • [Pw_forum] PWSCF 3.0 and XCrysDen 1.4.1   Tone Kokalj

Last message date: Tue Jan 31 23:06:05 CET 2006
Archived on: Wed Feb 28 10:49:55 CET 2018

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