April 2012 Archives by thread

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Starting: Sun Apr 1 20:04:50 CEST 2012
Ending: Mon Apr 30 21:04:21 CEST 2012
Messages: 217

• [Pw_forum] pseudopotential for silver   Никита Вакула
• [Pw_forum] pseudopotential for silver   Paolo Giannozzi
• [Pw_forum] problem in generating pseudopotential   Lorenzo Paulatto
  • [Pw_forum] electrostatic potential in CP calculation   jia chen
    • [Pw_forum] electrostatic potential in CP calculation   Paolo Giannozzi
• [Pw_forum] (no subject)   Amir hosseini
• [Pw_forum] How to plot the potential curve during pseudopotential generation?   陶鹏
  • [Pw_forum] How to plot the potential curve during pseudopotential generation?   GAO Zhe
  • [Pw_forum] How to plot the potential curve during pseudopotential generation?   Lorenzo Paulatto
    • [Pw_forum] How to plot the potential curve during pseudopotential generation?   陶鹏
      • [Pw_forum] How to plot the potential curve during pseudopotential generation?   Lorenzo Paulatto
• [Pw_forum] Is it possible for all-electron calculation on anions with ld1.x?   陶鹏
  • [Pw_forum] Is it possible for all-electron calculation on anions with ld1.x?   Nicola Marzari
    • [Pw_forum] Is it possible for all-electron calculation on anions with ld1.x?   陶鹏
      • [Pw_forum] Is it possible for all-electron calculation on anions with ld1.x?   Nicola Marzari
      • [Pw_forum] Is it possible for all-electron calculation on anions with ld1.x?   Paolo Giannozzi
• [Pw_forum] Re   susanta tripathy
• [Pw_forum] Potassium Ultrasoft pseudopotential with PBE   李斌
  • [Pw_forum] Potassium Ultrasoft pseudopotential with PBE   Guido Fratesi
• [Pw_forum] Extractring wavefunctions from complex band calculation   Pavel V. Akulov
  • [Pw_forum] loop and GGA   Hua Pan
  • [Pw_forum] loop and GGA   Hua Pan
    • [Pw_forum] band calculation   Maryam Jamali
  • [Pw_forum] made nanowire   samad zare
    • [Pw_forum] made nanowire   Axel Kohlmeyer
• [Pw_forum] help on convergence   bamidele ibrahim
  • [Pw_forum] help on convergence   Axel Kohlmeyer
  • [Pw_forum] help on convergence   GAO Zhe
• [Pw_forum] convergence for lattice parameter   funmi ayedun
  • [Pw_forum] convergence for lattice parameter   Giovani Faccin
• [Pw_forum] Phonon frequency   henry odhiambo
  • [Pw_forum] Phonon frequency   Axel Kohlmeyer
• [Pw_forum] ekphon q-points and kpoint.x mesh does not match   bahadir
  • [Pw_forum] Pw_forum Digest, Vol 58, Issue 9   merilege at gmail.com
• [Pw_forum] Error in running the pwcond.x   pankaj sahota
  • [Pw_forum] Error in running the pwcond.x   pankaj sahota
    • [Pw_forum] Error in running the pwcond.x   Paolo Giannozzi
  • [Pw_forum] Ba pseudopotential for spin-orbit calculations   Eduardo Ariel Menendez Proupin
• [Pw_forum] problem with average.x (average potential) calculation   Tram Bui
  • [Pw_forum] problem with average.x (average potential) calculation   Paolo Giannozzi
  • [Pw_forum] GW   Mansoureh Pashangpour
• [Pw_forum] xcrysden   Abolore Musari
• [Pw_forum] ph.x on BG/P: does not seem to be functional   Latévi Max LAWSON DAKU
  • [Pw_forum] ph.x on BG/P: does not seem to be functional   Latévi Max LAWSON DAKU
    • [Pw_forum] ph.x on BG/P: does not seem to be functional   Paolo Giannozzi
    • [Pw_forum] ph.x on BG/P: does not seem to be functional   Latévi Max LAWSON DAKU
    • [Pw_forum] How to parallelize phonons   William Parker
• [Pw_forum] problems modeling H2 adsorption on boron doped graphene sheet   Janet Wong
  • [Pw_forum] problems modeling H2 adsorption on boron doped graphene sheet   Paolo Giannozzi
• [Pw_forum] Query on band crossing   Ajit Vallabhaneni
  • [Pw_forum] Query on band crossing   Nicola Marzari
    • [Pw_forum] Query on band crossing   Ajit Vallabhaneni
      • [Pw_forum] Query on band crossing   Paolo Giannozzi
• [Pw_forum] Querry abou the kpoints in transport calculations   pankaj sahota
  • [Pw_forum] Querry abou the kpoints in transport calculations   Gabriele Sclauzero
  • [Pw_forum] relativitic pseudopotential for Bi, PZ approximation   ramzi alaya
    • [Pw_forum] relativitic pseudopotential for Bi, PZ approximation   Peng Tao
      • [Pw_forum] relativitic pseudopotential for Bi, PZ approximation   Axel Kohlmeyer
      • [Pw_forum] relativitic pseudopotential for Bi, PZ approximation   Nicola Marzari
      • [Pw_forum] relativitic pseudopotential for Bi, PZ approximation   Stefano de Gironcoli
      • [Pw_forum] relativitic pseudopotential for Bi, PZ approximation   Peng Tao
      • [Pw_forum] relativitic pseudopotential for Bi, PZ approximation   Nicola Marzari
      • [Pw_forum] relativitic pseudopotential for Bi, PZ approximation   Peng Tao
      • [Pw_forum] relativitic pseudopotential for Bi, PZ approximation   Paolo Giannozzi
• [Pw_forum] Any Norm-conserved PP database for Pwscf?   Sheleon Zhang
  • [Pw_forum] Any Norm-conserved PP database for Pwscf?   GAO Zhe
    • [Pw_forum] Any Norm-conserved PP database for Pwscf?   Lorenzo Paulatto
      • [Pw_forum] Any Norm-conserved PP database for Pwscf?   GAO Zhe
      • [Pw_forum] Any Norm-conserved PP database for Pwscf?   Paolo Giannozzi
• [Pw_forum] pp.x problem and doubts related to the point keyword   Davide Tiana
  • [Pw_forum] pp.x problem and doubts related to the point keyword   Giuseppe Mattioli
  • [Pw_forum] hybrid phonons   Giuseppe Mattioli
    • [Pw_forum] hybrid phonons   Layla Martin-Samos
• [Pw_forum] Serial Diagonalization   Paul Jennings
  • [Pw_forum] Serial Diagonalization   Paolo Giannozzi
  • [Pw_forum] Serial Diagonalization   Paul Jennings
  • [Pw_forum] Serial Diagonalization   Paolo Giannozzi
  • [Pw_forum] Force criteria for relaxation   Payam Norouzzadeh
  • [Pw_forum] Force criteria for relaxation   Guido Fratesi
• [Pw_forum] PWgui utility   Sohail Ahmad
  • [Pw_forum] PWgui utility   Paolo Giannozzi
  • [Pw_forum] ecutrho in phonon calculations   YY
    • [Pw_forum] ecutrho in phonon calculations   Paolo Giannozzi
      • [Pw_forum] neb.x and -ndiag option   Giuseppe Mattioli
      • [Pw_forum] neb.x and -ndiag option   Paolo Giannozzi
      • [Pw_forum] neb.x and -ndiag option   Giuseppe Mattioli
      • [Pw_forum] neb.x and -ndiag option   Axel Kohlmeyer
      • [Pw_forum] neb.x and -ndiag option   Layla Martin-Samos
      • [Pw_forum] ecutrho in phonon calculations   YY
      • [Pw_forum] ecutrho in phonon calculations   elbuesta at icqmail.com
• [Pw_forum] error in average.x calculation   Tram Bui
  • [Pw_forum] error in average.x calculation   Paolo Giannozzi
  • [Pw_forum] Force criteria for relaxation   Payam Norouzzadeh
    • [Pw_forum] Force criteria for relaxation   Guido Fratesi
  • [Pw_forum] offset in QE 4.2 and QE 4.3   Hanghui Chen
    • [Pw_forum] offset in QE 4.2 and QE 4.3   Paolo Giannozzi
• [Pw_forum] Phonon LO-TO splitting in semiconductor with smearing   Hans Lind
  • [Pw_forum] Phonon LO-TO splitting in semiconductor with smearing   Nicola Marzari
• [Pw_forum] (no subject)   debbichi mourad
  • [Pw_forum] (no subject)   Paolo Giannozzi
  • [Pw_forum] Phonon LO-TO splitting in semiconductor with smearing   Hans Lind
• [Pw_forum] Tunneling density of states using pwcond   Jonathan Trinastic
  • [Pw_forum] Tunneling density of states using pwcond   Alex Smogunov
  • [Pw_forum] visualizing results of molecular dynamics using XCRYSDEN   Elie M
    • [Pw_forum] visualizing results of molecular dynamics using XCRYSDEN   Tone Kokalj
      • [Pw_forum] problem regrading convergence   bramha pandey
      • [Pw_forum] problem regrading convergence   Layla Martin-Samos
      • [Pw_forum] problem regrading convergence   Lorenzo Paulatto
      • [Pw_forum] problem regrading convergence   bramha pandey
  • [Pw_forum] vizualizing the molecular dynamics of graphene   Elie M
  • [Pw_forum] freeing memory after end of pw.x calculation   Marcos Veríssimo Alves
    • [Pw_forum] freeing memory after end of pw.x calculation   Lorenzo Paulatto
    • [Pw_forum] freeing memory after end of pw.x calculation   Marcos Veríssimo Alves
    • [Pw_forum] freeing memory after end of pw.x calculation   Marcos Veríssimo Alves
• [Pw_forum] two program logic questions in TDDFPT   kuilin lu
  • [Pw_forum] two program logic questions in TDDFPT   Simon Binnie
• [Pw_forum] phonon dynamical matrix and eigenvectors   Bo Qiu
  • [Pw_forum] phonon dynamical matrix and eigenvectors   Paolo Giannozzi
  • [Pw_forum] forming supercell for a (10, 0) nanotube attached to polymers and oligomers   Elie M
• [Pw_forum] DLASCL error on some architectures/QE versions   Rodrigo Neumann
• [Pw_forum] Regarding GAMMA kpoint   bramha pandey
  • [Pw_forum] forming a supercell for a (10, 0) nanotube attached to a polymer   Elie M
    • [Pw_forum] forming a supercell for a (10, 0) nanotube attached to a polymer   Axel Kohlmeyer
    • [Pw_forum] forming a supercell for a (10, 0) nanotube attached to a polymer   Elie M
    • [Pw_forum] forming a supercell for a (10, 0) nanotube attached to a polymer   Axel Kohlmeyer
    • [Pw_forum] forming a supercell for a (10, 0) nanotube attached to a polymer   Elie M
• [Pw_forum] serial or parallel computation in electron-phonon matrix integration   Junhyeok Bang
  • [Pw_forum] serial or parallel computation in electron-phonon matrix integration   Paolo Giannozzi
  • [Pw_forum] Quantum Espresso Workshop (Jun 25 - Jun 29 /2012, Penn State Univ., PA, USA)   Paolo Giannozzi
  • [Pw_forum] Quantum Espresso Workshop (Jun 25 - Jun 29 /2012, Penn State Univ., PA, USA)   Paolo Giannozzi
• [Pw_forum] (no subject)   debbichi mourad
• [Pw_forum] epsilon.x   debbichi mourad
  • [Pw_forum] epsilon.x   Layla Martin-Samos
  • [Pw_forum] Fwd: epsilon.x   Layla Martin-Samos
• [Pw_forum] bismuth fully relativistic pseudopotential needed   陈建勇
  • [Pw_forum] bismuth fully relativistic pseudopotential needed   GAO Zhe
  • [Pw_forum] piezoelectric   Amir hosseini
  • [Pw_forum] Error in getting the transmission while doing the transport calculation   pankaj sahota
• [Pw_forum] supercell in matdyn.x   babr aram
  • [Pw_forum] supercell in matdyn.x   Paolo Giannozzi
• [Pw_forum] two program logic questions in TDDFPT   kuilin lu
• [Pw_forum] (no subject)   Said Asma
  • [Pw_forum] (no subject)   Layla Martin-Samos
  • [Pw_forum] Re : Band gap of BN (zinc blende)   Said Asma
  • [Pw_forum] Re : Band gap of BN (zinc blende)   Layla Martin-Samos
  • [Pw_forum] About the size of electrode   pankaj sahota
    • [Pw_forum] About the size of electrode   Alex Smogunov
• [Pw_forum] lambda(omega)   bahadir
  • [Pw_forum] lambda(omega)   bahadir
    • [Pw_forum] lambda(omega)   Paolo Giannozzi
    • [Pw_forum] lambda(omega)   bahadir
• [Pw_forum] regarding problem in bands structure calculation   jagaran Acharya
  • [Pw_forum] regarding problem in bands structure calculation   Paolo Giannozzi
  • [Pw_forum] How to get atomic positions for TiO2   Olayinka, Samson A.
    • [Pw_forum] How to get atomic positions for TiO2   Lorenzo Paulatto
• [Pw_forum] Error band structure   Said Asma
  • [Pw_forum] Error band structure   Said Asma
    • [Pw_forum] Error band structure   Stefano de Gironcoli
    • [Pw_forum] Error band structure   Peng Tao
• [Pw_forum] on the way of approximating a large slab   Yavar Taghipour Azar
  • [Pw_forum] on the way of approximating a large slab   Guido Fratesi
    • [Pw_forum] on the way of approximating a large slab   Yavar Taghipour Azar
  • [Pw_forum] error in volume calculation in ibrav=7   bramha pandey
    • [Pw_forum] error in volume calculation in ibrav=7   Guido Fratesi
• [Pw_forum] Pw_forum Digest, Vol 58, Issue 33   YY
  • [Pw_forum] Problem in vc-relax, radial FFT   Ali ALLAM
    • [Pw_forum] Problem in vc-relax, radial FFT   Maxim Popov
    • [Pw_forum] Problem in vc-relax, radial FFT   Lorenzo Paulatto
    • [Pw_forum] LDA+U with phonon   Sanjeev Gupta
      • [Pw_forum] LDA+U with phonon   Layla Martin-Samos
    • [Pw_forum] Fe pseudopotential (pslibrary) test failed   Peng Chen
      • [Pw_forum] Fe pseudopotential (pslibrary) test failed   Paolo Giannozzi
      • [Pw_forum] Fe pseudopotential (pslibrary) test failed   Andrea Dal Corso
• [Pw_forum] Home page: problem to load   Pedro Augusto F. P. Moreira
  • [Pw_forum] Home page: problem to load   Giovani Faccin
    • [Pw_forum] Home page: problem to load   Pedro Augusto F. P. Moreira
• [Pw_forum] mp vs mv   Farzad Molani
  • [Pw_forum] mp vs mv   Nicola Marzari
• [Pw_forum] mp vs mv   Farzad Molani
  • [Pw_forum] mp vs mv   Axel Kohlmeyer
• [Pw_forum] XSPECTRA calculations of molecules   Giuseppe Mattioli
• [Pw_forum] Fw: Re: mp vs mv   Farzad Molani
• [Pw_forum] Testing subscription   R.C.Pasianot
  • [Pw_forum] Testing subscription   Layla Martin-Samos
• [Pw_forum] using Octave or GDIS to make the surface   meghdad saeedian
  • [Pw_forum] using Octave or GDIS to make the surface   m
    • [Pw_forum] using Octave or GDIS to make the surface   meghdad saeedian
• [Pw_forum] query on kpoints.x   Ajit Vallabhaneni
  • [Pw_forum] query on kpoints.x   Paolo Giannozzi
• [Pw_forum] Contents of Pw_forum Digest, Vol 58, Issue 41Re: using Octave or GDIS to make the surface (m)   Davide Tiana
• [Pw_forum] Error in running the scf calculation with espresso-4.2   pankaj sahota
  • [Pw_forum] Error in running the scf calculation with espresso-4.2   Paolo Giannozzi
  • [Pw_forum] hse performance   kazempoor at ph.iut.ac.ir
• [Pw_forum] hse performance   ali kazempour
• [Pw_forum] convergence NOT achieved after 100 iterations: stopping   Cao TF
  • [Pw_forum] convergence NOT achieved after 100 iterations: stopping   Shruba Gangopadhyay
  • [Pw_forum] convergence NOT achieved after 100 iterations: stopping   Paolo Giannozzi
    • [Pw_forum] convergence NOT achieved after 100 iterations --- related question   Hande Ustunel
      • [Pw_forum] convergence NOT achieved after 100 iterations --- related question   Nicola Marzari
      • [Pw_forum] convergence NOT achieved after 100 iterations --- related question   Hande Ustunel
  • [Pw_forum] convergence NOT achieved after 100 iterations: stopping   GAO Zhe
  • [Pw_forum] k-point   bf azi
• [Pw_forum] pw bands calculation crash   Davide Tiana
  • [Pw_forum] pw bands calculation crash   Paolo Giannozzi
    • [Pw_forum] convergence not achieved .related problem   m rostami
• [Pw_forum] question report   孟祥颖
  • [Pw_forum] absorption   bf azi
• [Pw_forum] optical properties   bhabya sahoo
  • [Pw_forum] optical properties (bhabya sahoo)   Eduardo Ariel Menendez Proupin
• [Pw_forum] Input help   matt reish
  • [Pw_forum] Input help   Paolo Giannozzi
  • [Pw_forum] Input help   Simon Binnie
• [Pw_forum] download MD Slides from QE website?   Sonu Kumar
  • [Pw_forum] download MD Slides from QE website?   Paolo Giannozzi
  • [Pw_forum] download MD Slides from QE website?   Sonu Kumar
• [Pw_forum] Input preparation   Vasumathi Velachi
• [Pw_forum] problems in generating pseudopotentials   mohamed makhyoun

Last message date: Mon Apr 30 21:04:21 CEST 2012
Archived on: Mon Apr 30 21:04:27 CEST 2012

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