November 2005 Archives by thread

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Starting: Tue Nov 1 04:47:59 CET 2005
Ending: Wed Nov 30 20:59:31 CET 2005
Messages: 158

• [Pw_forum] SCF convergency   Jun-jun Yang
  • [Pw_forum] SCF convergency   Eyvaz Isaev
• [Pw_forum] CVS cp.x   Alexander Shaposhnikov
  • [Pw_forum] CVS cp.x   Konstantin Kudin
  • [Pw_forum] CVS cp.x   Paolo Giannozzi
    • [Pw_forum] CVS cp.x   Konstantin Kudin
      • [Pw_forum] CVS cp.x   Konstantin Kudin
• [Pw_forum] Is there   #TAO JUNGUANG#
  • [Pw_forum] Is there   hai wang
  • [Pw_forum] Is there   Alessandra Satta
• [Pw_forum] problem in phonon DOS calculation of HCP structure   Eduardo Ariel Menendez P
  • [Pw_forum] problem in phonon DOS calculation of HCP structure   Paolo Giannozzi
• [Pw_forum] Restarting cp from pwscf output   Eduardo Ariel Menendez P
  • [Pw_forum] Restarting cp from pwscf output   Paolo Giannozzi
• [Pw_forum] Problems running PWscf in parallel   stewart at cnf.cornell.edu
  • [Pw_forum] Problems running PWscf in parallel   Sergey Lisenkov
    • [Pw_forum] Re: Problems running PWscf in parallel - MPI_ALLreduce   stewart at cnf.cornell.edu
    • [Pw_forum] Solved! Re: Problems running PWscf in parallel   stewart at cnf.cornell.edu
      • [Pw_forum] Solved! Re: Problems running PWscf in parallel   Paolo Giannozzi
      • [Pw_forum] Re: Solved! Re: Problems running PWscf in parallel   stewart at cnf.cornell.edu
      • [Pw_forum] Re: Solved! Re: Problems running PWscf in parallel   Paolo Giannozzi
• [Pw_forum] magnetization and spin contamination   Paolo Giannozzi
  • [Pw_forum] magnetization and spin contamination   Silviu Zilberman
• [Pw_forum] mixing in non-collinear case   Paolo Giannozzi
• [Pw_forum] problem in phonon DOS calculation of HCP structure   Eduardo Ariel Menendez P
  • [Pw_forum] Problem with FPMD   Paul Tangney
    • [Pw_forum] Problem with FPMD   Silviu Zilberman
    • [Pw_forum] Problem with FPMD   Silviu Zilberman
      • [Pw_forum] Problem with FPMD   Gerardo Ballabio
• [Pw_forum] inconsistent angular momentum   Jian ZHOU
  • [Pw_forum] inconsistent angular momentum   Paolo Giannozzi
• [Pw_forum] Evaluation of metallic/non-metallic conduction in carbon nanotubes   Steven Kirk
  • [Pw_forum] Evaluation of metallic/non-metallic conduction in carbon nanotubes   Nicola Marzari
• [Pw_forum] The band gap problem   #TAO JUNGUANG#
  • [Pw_forum] The band gap problem   Paolo Giannozzi
• [Pw_forum] 答复: [Pw_forum] Is there   #TAO JUNGUANG#
  • [Pw_forum] 答复: [Pw_forum] Is there   Paolo Giannozzi
• [Pw_forum] 答复: [Pw_forum] The band gap problem   #TAO JUNGUANG#
  • [Pw_forum] ´ð¸´: [Pw_forum] The band gap problem   Stefano de Gironcoli
• [Pw_forum] phonon symmetry at any point   Dr. Claire Loison
  • [Pw_forum] phonon symmetry at any point   Paolo Giannozzi
    • [Pw_forum] phonon symmetry at any point   Lilia Boeri
• [Pw_forum] 答复: [Pw_forum] ´ð¸´: [Pw_forum] The band gap problem   #TAO JUNGUANG#
• [Pw_forum] Different band gap value from the 'relax' and 'nscf'calculation.   #TAO JUNGUANG#
  • [Pw_forum] Different band gap value from the 'relax' and 'nscf'calculation.   Felipe Valencia Hernandez
• [Pw_forum] Restarting calculations   Paolo Giannozzi
• [Pw_forum] El-ph sum question   Miguel Martinez
  • [Pw_forum] El-ph sum question   Paolo Giannozzi
    • [Pw_forum] filelph question   Miguel Martinez
      • [Pw_forum] filelph question   Paolo Giannozzi
      • [Pw_forum] filelph question   Miguel Martinez
      • [Pw_forum] filelph question   Miguel Martinez
• [Pw_forum] Different band gap value from the 'relax' and 'nscf'calculation.   #TAO JUNGUANG#
  • [Pw_forum] Different band gap value from the 'relax' and 'nscf'calculation.   Giovanni Cantele
• [Pw_forum] non-analytic term for q=0 missing   Alcantara Ortigoza, Marisol
  • [Pw_forum] non-analytic term for q=0 missing   Paolo Giannozzi
• [Pw_forum] Different band gap value from the 'relax' and 'nscf'calculation.   #TAO JUNGUANG#
• [Pw_forum] A simple question about convergence testing   Lijun Zhang
• [Pw_forum] about raman tensor   li yan
  • [Pw_forum] about raman tensor   Paolo Giannozzi
    • [Pw_forum] 回复： Re: [Pw_forum] about raman tensor   li yan
      • Re: [Pw_forum] 回复： Re: [Pw_forum] about raman tensor   Gerardo Ballabio
      • [Pw_forum] 回复： Re: [Pw_forum] 回复： Re: [Pw_forum] about raman tensor   li yan
      • Re: [Pw_forum] 回复： Re: [Pw_forum] 回复： Re: [Pw_forum] about raman tensor   Gerardo Ballabio
      • [Pw_forum] about the cvs   li yan
      • [Pw_forum] about the cvs   Nicola Marzari
• [Pw_forum] EFG and NMR   Josef W. Zwanziger
  • [Pw_forum] EFG and NMR   Paolo Giannozzi
• [Pw_forum] SCF convergency   Paolo Giannozzi
• [Pw_forum] nscf & LDA+U & poormanwannier   Malgorzata Wierzbowska (Peressi Maria)
  • [Pw_forum] nscf & LDA+U & poormanwannier   Stefano de Gironcoli
    • [Pw_forum] nscf & LDA+U & poormanwannier   Malgorzata Wierzbowska (Peressi Maria)
• [Pw_forum] magic cell size in FPMD   Davide Ceresoli
  • [Pw_forum] magic cell size in FPMD   Paolo Giannozzi
• [Pw_forum] Anharmonic terms - 3rd order derivatives of energy wrt position   stewart at cnf.cornell.edu
  • [Pw_forum] Anharmonic terms - 3rd order derivatives of energy wrt position   Nicola Marzari
• [Pw_forum] pw2wan.x available for use???   Liping YU
  • [Pw_forum] pw2wan.x available for use???   Nicola Marzari
  • [Pw_forum] pw2wan.x available for use???   Andrea Ferretti
• [Pw_forum] Ru pseudopotential   Sergey Lisenkov
  • [Pw_forum] Ru pseudopotential   Paolo Giannozzi
    • [Pw_forum] undefined symbol: f_powii   Cyrille Barreteau
    • [Pw_forum] undefined symbol: f_powii   Paolo Giannozzi
    • [Pw_forum] undefined symbol: f_powii   Cyrille Barreteau
• [Pw_forum] default for 'occupations'   Alberto Milani
  • [Pw_forum] default for 'occupations'   Eyvaz Isaev
    • [Pw_forum] default for 'occupations'   Paolo Giannozzi
      • [Pw_forum] default for 'occupations'   Eyvaz Isaev
• [Pw_forum] surface phonon calculations   L.T. Kong
  • [Pw_forum] convert a pseudopotential in UPF format of PWSCF to CPMD format   Adeagbo Waheed Adeniyi
    • [Pw_forum] convert a pseudopotential in UPF format of PWSCF to CPMD format   Axel Kohlmeyer
    • [Pw_forum] convert a pseudopotential in UPF format of PWSCF to CPMD format   Adeagbo Waheed Adeniyi
• [Pw_forum] Request for more significant figures.   Paul Tangney
• [Pw_forum] dynamical matrix   Alberto Milani
  • [Pw_forum] dynamical matrix   Eyvaz Isaev
  • [Pw_forum] dynamical matrix   Paolo Giannozzi
• [Pw_forum] dynamical matrix   Alberto Milani
  • [Pw_forum] dynamical matrix   Eyvaz Isaev
• [Pw_forum] slab relaxtion in external field can't reach convergence   Liping YU
• [Pw_forum] mag-question   sareh zarei
• [Pw_forum] Error from coset   Sergey Lisenkov
  • [Pw_forum] Error from coset   Paolo Giannozzi
  • [Pw_forum] Error from coset   Paolo Giannozzi
    • [Pw_forum] Error from coset   Sergey Lisenkov
    • [Pw_forum] Error from coset   Sergey Lisenkov
      • [Pw_forum] Error from coset   Paolo Giannozzi
      • [Pw_forum] Error from coset   Sergey Lisenkov
• [Pw_forum] Problem of compiling espresso 3.0 on AMD opteron cluster   Huiqun Zhou
  • [Pw_forum] Problem of compiling espresso 3.0 on AMD opteron cluster   Gerardo Ballabio
  • [Pw_forum] Problem of compiling espresso 3.0 on AMD opteron cluster   Eduardo J. Lamas
• [Pw_forum] cp with metals   Nichols A. Romero
  • [Pw_forum] cp with metals   Davide Ceresoli
    • [Pw_forum] cp with metals   Konstantin Kudin
  • [Pw_forum] cp with metals   Nicola Marzari
    • [Pw_forum] cp with metals   Nichols A. Romero
    • [Pw_forum] cp with metals   carlo sbraccia
      • [Pw_forum] cp with metals   Nicola Marzari
      • [Pw_forum] too many test configurations   Hande Ustunel
      • [Pw_forum] too many test configurations   Paolo Giannozzi
  • [Pw_forum] cp with metals   Nicola Marzari
  • [Pw_forum] about -npool   sun jason
    • [Pw_forum] about -npool   Paolo Giannozzi
• [Pw_forum] Help about vc-relax   You Lin
• [Pw_forum] running in parallel   Jaita Paul
  • [Pw_forum] running in parallel   Paolo Giannozzi
  • [Pw_forum] Meaning of "Total SCF correction"   Henning Glawe
    • [Pw_forum] Meaning of "Total SCF correction"   Stefano de Gironcoli
• [Pw_forum] Run-time error   Sergey Lisenkov
  • [Pw_forum] Run-time error   Paolo Giannozzi
    • [Pw_forum] Run-time error   Sergey Lisenkov
      • [Pw_forum] Run-time error   Paolo Giannozzi
      • [Pw_forum] Run-time error   Sergey Lisenkov
• [Pw_forum] Re: CP for metals   Paul Tangney
  • [Pw_forum] Re: CP for metals   Konstantin Kudin
• [Pw_forum] CP for all systems   Paul Tangney
  • [Pw_forum] CP for all systems   Nicola Marzari
• [Pw_forum] K-point parallelization   Sergey Lisenkov
  • [Pw_forum] K-point parallelization   Axel Kohlmeyer
    • [Pw_forum] MPI & disk unavailability   Konstantin Kudin
    • [Pw_forum] MPI & disk unavailability   Axel Kohlmeyer
    • [Pw_forum] MPI & disk unavailability   Gerardo Ballabio
    • [Pw_forum] MPI & disk unavailability   Konstantin Kudin
    • [Pw_forum] MPI & disk unavailability   Axel Kohlmeyer
    • [Pw_forum] MPI & disk unavailability   Konstantin Kudin
• [Pw_forum] Contributing to CP & CG bug   Paul Tangney
  • [Pw_forum] Contributing to CP   Konstantin Kudin
• [Pw_forum] spin-polarized GGA calculation in pw   W. YU
• [Pw_forum] test of generated pseudopotential   li yan
• [Pw_forum] local magnetic moment in pw   sareh zarei
• [Pw_forum] Error in q2r.x   Alcantara Ortigoza, Marisol
  • [Pw_forum] Error in q2r.x   Stefano de Gironcoli
• [Pw_forum] honeycomb   Aritz Leonardo
  • [Pw_forum] honeycomb   Stefano de Gironcoli
    • [Pw_forum] honeycomb   Aritz Leonardo
      • [Pw_forum] honeycomb   Stefano de Gironcoli
      • [Pw_forum] honeycomb   Paolo Giannozzi
• [Pw_forum] Understanding o/p of projwfc.x   Mousumi Upadhyay Kahaly
• [Pw_forum] Error in q2r.x   Alcantara Ortigoza, Marisol

Last message date: Wed Nov 30 20:59:31 CET 2005
Archived on: Tue Jul 10 14:23:58 CEST 2007

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