August 2012 Archives by thread

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Starting: Wed Aug 1 00:51:51 CEST 2012
Ending: Fri Aug 31 22:55:25 CEST 2012
Messages: 228

• [Pw_forum] MD restart algorithm in Quantum Espresso   Alexey Akimov
  • [Pw_forum] MD restart algorithm in Quantum Espresso   Paolo Giannozzi
    • [Pw_forum] MD restart algorithm in Quantum Espresso   Alexey Akimov
      • [Pw_forum] MD restart algorithm in Quantum Espresso   Axel Kohlmeyer
      • [Pw_forum] MD restart algorithm in Quantum Espresso   Alexey Akimov
      • [Pw_forum] MD restart algorithm in Quantum Espresso   Paolo Giannozzi
• [Pw_forum] How to create a new pseudo potential with virtual.x?   Yue-Wen Fang
  • [Pw_forum] How to create a new pseudo potential with virtual.x?   Axel Kohlmeyer
    • [Pw_forum] How to create a new pseudo potential with virtual.x?   Yue-Wen Fang
      • [Pw_forum] How to create a new pseudo potential with virtual.x?   GAO Zhe
      • [Pw_forum] How to create a new pseudo potential with virtual.x?   Nicola Marzari
      • [Pw_forum] How to create a new pseudo potential with virtual.x?   Yue-Wen Fang
• [Pw_forum] problem of Tc calculation in electron phonon coefficents   bhabya sahoo
  • [Pw_forum] Fwd: problem of Tc calculation in electron phonon coefficents   bhabya sahoo
    • [Pw_forum] Fwd: problem of Tc calculation in electron phonon coefficents   bhabya sahoo
• [Pw_forum] Hirshfeld Charges   Sonu Kumar
  • [Pw_forum] Hirshfeld Charges   Axel Kohlmeyer
  • [Pw_forum] Hirshfeld Charges   Stefano de Gironcoli
    • [Pw_forum] hibrid functionals   Adriano Mosca Conte
      • [Pw_forum] hibrid functionals   Paolo Giannozzi
• [Pw_forum] vdW_kernel_table   bf azi
  • [Pw_forum] vdW_kernel_table   Stefano de Gironcoli
  • [Pw_forum] vdW_kernel_table   Lorenzo Paulatto
• [Pw_forum] error while compiling quantum espresso   zafar rasheed
  • [Pw_forum] error while compiling quantum espresso   zafar rasheed
• [Pw_forum] from frc_blk : error #   Sanjeev Gupta
  • [Pw_forum] from frc_blk : error #   Stefano de Gironcoli
• [Pw_forum] plotrho.x refuses plotting charge !   Masoud
  • [Pw_forum] plotrho.x refuses plotting charge !   Paolo Giannozzi
• [Pw_forum] some variables in QE   Ruibin Liu
• [Pw_forum] Illegal instruction   Ruibin Liu
  • [Pw_forum] Illegal instruction   Axel Kohlmeyer
• [Pw_forum] not existed variables   Ruibin Liu
  • [Pw_forum] not existed variables   Ruibin Liu
• [Pw_forum] output format of d3.x   Bramha Pandey
• [Pw_forum] optical properties   Sohail Ahmad
  • [Pw_forum] optical properties   GAO Zhe
• [Pw_forum] installation   Sohail Ahmad
  • [Pw_forum] installation   Abolore Musari
    • [Pw_forum] installation   Axel Kohlmeyer
• [Pw_forum] Why my generated pp doesn't contain the information of number of Q-function(nqf)?   Yue-Wen Fang
  • [Pw_forum] Why my generated pp doesn't contain the information of number of Q-function(nqf)?   Axel Kohlmeyer
    • [Pw_forum] Why my generated pp doesn't contain the information of number of Q-function(nqf)?   Yue-Wen Fang
      • [Pw_forum] Why my generated pp doesn't contain the information of number of Q-function(nqf)?   Yue-Wen Fang
      • [Pw_forum] Why my generated pp doesn't contain the information of number of Q-function(nqf)?   Axel Kohlmeyer
      • [Pw_forum] Why my generated pp doesn't contain the information of number of Q-function(nqf)?   Yue-Wen Fang
      • [Pw_forum] Why my generated pp doesn't contain the information of number of Q-function(nqf)?   Axel Kohlmeyer
      • [Pw_forum] Why my generated pp doesn't contain the information of number of Q-function(nqf)?   Yue-Wen Fang
      • [Pw_forum] Why my generated pp doesn't contain the information of number of Q-function(nqf)?   Axel Kohlmeyer
      • [Pw_forum] Why my generated pp doesn't contain the information of number of Q-function(nqf)?   Stefano Baroni
      • [Pw_forum] Why my generated pp doesn't contain the information of number of Q-function(nqf)?   Yue-Wen Fang
• [Pw_forum] DCFT3 : 2538-2605 error when performing q2r.x   Jiseok Kim
• [Pw_forum] negative a2f(w) DOS   Peng Tao
• [Pw_forum] Quantum Espresso (4.3.2) and pure openmp runs   Cristian Degli Esposti Boschi
  • [Pw_forum] Quantum Espresso (4.3.2) and pure openmp runs   Axel Kohlmeyer
    • [Pw_forum] Quantum Espresso (4.3.2) and pure openmp runs   Axel Kohlmeyer
• [Pw_forum] equilibrium lattice constant of magnetite   Abolore Musari
  • [Pw_forum] equilibrium lattice constant of magnetite   jia chen
    • [Pw_forum] equilibrium lattice constant of magnetite   Abolore Musari
      • [Pw_forum] equilibrium lattice constant of magnetite   Jia Chen
      • [Pw_forum] equilibrium lattice constant of magnetite   bamidele ibrahim
      • [Pw_forum] equilibrium lattice constant of magnetite   Abolore Musari
• [Pw_forum] Quantum Espresso (4.3.2) and pure openmp runs (Axel Kohlmeyer)   Cristian Degli Esposti Boschi
• [Pw_forum] cp.x output: .pos   xiaochuan Ge
  • [Pw_forum] cp.x output: .pos   Paolo Giannozzi
    • [Pw_forum] cp.x output: .pos   Paolo Giannozzi
      • [Pw_forum] cp.x output: .pos   Paolo Giannozzi
    • [Pw_forum] cp.x output: .pos   Paolo Giannozzi
• [Pw_forum] Difference in implementation in matdyn.x between versions 4.2.1 and 5.0.0?   Matthijs Mentink
  • [Pw_forum] Difference in implementation in matdyn.x between versions 4.2.1 and 5.0.0?   Paolo Giannozzi
• [Pw_forum] Gamma point algorithm   mahdi Davari
• [Pw_forum] find out   Nyaruanda Calvince
  • [Pw_forum] find out   Guido Fratesi
• [Pw_forum] thanks   Nyaruanda Calvince
• [Pw_forum] non-existed variables   Ruibin Liu
  • [Pw_forum] non-existed variables   Paolo Giannozzi
    • [Pw_forum] non-existed variables   Ruibin Liu
      • [Pw_forum] non-existed variables   Paolo Giannozzi
• [Pw_forum] QE plugins system   Dmitry Korotin
  • [Pw_forum] QE plugins system   Layla Martin-Samos
    • [Pw_forum] QE plugins system   Dmitry Korotin
      • [Pw_forum] QE plugins system   Layla Martin-Samos
      • [Pw_forum] QE plugins system   Dmitry Korotin
      • [Pw_forum] QE plugins system   Layla Martin-Samos
• [Pw_forum] reading_namelist error #19   Elie M
  • [Pw_forum] reading_namelist error #19   Nicola Marzari
    • [Pw_forum] reading_namelist error #19   Elie M
  • [Pw_forum] reading_namelist error #19   Masoud
• [Pw_forum] LSDA+U calculation on band gap   Peng Chen
  • [Pw_forum] LSDA+U calculation on band gap   Burak Himmetoglu
    • [Pw_forum] LSDA+U calculation on band gap   Peng Chen
      • [Pw_forum] LSDA+U calculation on band gap   Burak Himmetoglu
• [Pw_forum] VDW-DF2   bf azi
  • [Pw_forum] VDW-DF2   Stefano de Gironcoli
  • [Pw_forum] vdw-df2   florence liu
    • [Pw_forum] vdw-df2   Ary Junior
• [Pw_forum] zns/zno surface   Amin Torabi
  • [Pw_forum] zns/zno surface   Alexey Akimov
    • [Pw_forum] zns/zno surface   Amin Torabi
      • [Pw_forum] zns/zno surface   Alexey Akimov
• [Pw_forum] phonon calculations do not converge   Iyad AL-QASIR
  • [Pw_forum] phonon calculations do not converge   William Parker
    • [Pw_forum] phonon calculations do not converge   Iyad AL-QASIR
    • [Pw_forum] phonon calculations do not converge   Iyad AL-QASIR
      • [Pw_forum] phonon calculations do not converge   Matthijs Mentink
      • [Pw_forum] phonon calculations do not converge   Iyad AL-QASIR
• [Pw_forum] piezoelectric constant   Alex Mariani
  • [Pw_forum] piezoelectric constant   GAO Zhe
  • [Pw_forum] piezoelectric constant   Stefano Baroni
• [Pw_forum] phonon calculation   Abolore Musari
  • [Pw_forum] phonon calculation   Stefano Baroni
  • [Pw_forum] phonon calculation   GAO Zhe
• [Pw_forum] Van der Walls interaction   manoj narayanan
  • [Pw_forum] Van der Walls interaction   Masoud
    • [Pw_forum] Van der Walls interaction   manoj narayanan
      • [Pw_forum] Van der Walls interaction   Stefano de Gironcoli
  • [Pw_forum] Van der Walls interaction   Masoud
• [Pw_forum] Problem with parallel phonon calculation using image method   David Miller
  • [Pw_forum] Problem with parallel phonon calculation using image method   William Parker
  • [Pw_forum] Problem with parallel phonon calculation using image method   David Miller
• [Pw_forum] set_irr.f90 in v5.0   Jiseok Kim
  • [Pw_forum] set_irr.f90 in v5.0   Andrea Dal Corso
• [Pw_forum] 110-direction Vs 110-point calculation   Satyananda Chab
  • [Pw_forum] 110-direction Vs 110-point calculation   GAO Zhe
• [Pw_forum] (no subject)   Satyananda Chab
  • [Pw_forum] (no subject)   ramzi alaya
    • [Pw_forum] (no subject)   Axel Kohlmeyer
      • [Pw_forum] (no subject)   Franklin Zhan
• [Pw_forum] k points weights   Paolo Giannozzi
• [Pw_forum] Input file for Cd6Se6   Ruibin Liu
  • [Pw_forum] Input file for Cd6Se6   Paolo Giannozzi
    • [Pw_forum] Input file for Cd6Se6   Ruibin Liu
      • [Pw_forum] Input file for Cd6Se6   Darshana Wickramaratne
• [Pw_forum] The files for lambda.x are missing!   Peng Tao
• [Pw_forum] About pseudopotential   anne etindele
  • [Pw_forum] About pseudopotential   Axel Kohlmeyer
• [Pw_forum] GPU-accelerated PWscf Test Drive (provided by NVIDIA and partners) opens today   Filippo Spiga
  • [Pw_forum] GPU-accelerated PWscf Test Drive (provided by NVIDIA and partners) opens today   Filippo Spiga
• [Pw_forum] confusion in ev.x   karan deep
  • [Pw_forum] confusion in ev.x   Paolo Giannozzi
  • [Pw_forum] confusion in ev.x   karan deep
• [Pw_forum] QE 5.0 Release Confusion   W2AGZ
  • [Pw_forum] QE 5.0 Release Confusion   DENIS MAGERO
  • [Pw_forum] QE 5.0 Release Confusion   Filippo Spiga
    • [Pw_forum] [Q-e-developers] QE 5.0 Release Confusion   Layla Martin-Samos
  • [Pw_forum] QE 5.0 Release Confusion   Paolo Giannozzi
• [Pw_forum] question about spinors   Alexey Akimov
  • [Pw_forum] question about spinors   Paolo Giannozzi
    • [Pw_forum] question about spinors   Alexey Akimov
      • [Pw_forum] question about spinors   Gabriele Sclauzero
      • [Pw_forum] question about spinors   Alexey Akimov
      • [Pw_forum] question about spinors   Gabriele Sclauzero
      • [Pw_forum] question about spinors   Alexey Akimov
      • [Pw_forum] kohen -sham orbitals ortogonality and ortonormality   nazari at iasbs.ac.ir
      • [Pw_forum] kohen -sham orbitals ortogonality and ortonormality   Alexey Akimov
      • [Pw_forum] kohn -sham orbitals ortogonality and ortonormality   nazari at iasbs.ac.ir
      • [Pw_forum] kohn -sham orbitals ortogonality and ortonormality   Paolo Giannozzi
      • [Pw_forum] kohn -sham orbitals ortogonality and ortonormality   nazari at iasbs.ac.ir
      • [Pw_forum] kohn -sham orbitals ortogonality and ortonormality   Alexey Akimov
      • [Pw_forum] kohn -sham orbitals ortogonality and ortonormality   nazari at iasbs.ac.ir
      • [Pw_forum] kohn -sham orbitals ortogonality and ortonormality   Alexey Akimov
      • [Pw_forum] kohn -sham orbitals ortogonality and ortonormality   nazari at iasbs.ac.ir
      • [Pw_forum] kohn -sham orbitals ortogonality and ortonormality   Alexey Akimov
• [Pw_forum] Dipole correction of PW   Fenggong Wang
  • [Pw_forum] Dipole correction of PW   Paolo Giannozzi
    • [Pw_forum] Dipole correction of PW   Fenggong Wang
• [Pw_forum] '*****' in output files   kangbugy at lycos.co.kr
• [Pw_forum] Bug in QE 5.0 with ibrav=0 and using a instead of celldm   Giovanni Pizzi
  • [Pw_forum] Bug in QE 5.0 with ibrav=0 and using a instead of celldm   Paolo Giannozzi
    • [Pw_forum] Bug in QE 5.0 with ibrav=0 and using a instead of celldm   Giovanni Pizzi
      • [Pw_forum] Bug in QE 5.0 with ibrav=0 and using a instead of celldm   Paolo Giannozzi
• [Pw_forum] path for automatic download of plugins   Layla Martin-Samos
• [Pw_forum] restart flag for nmr calculation using gipaw   Prasenjit Ghosh
  • [Pw_forum] restart flag for nmr calculation using gipaw   Davide Ceresoli
    • [Pw_forum] restart flag for nmr calculation using gipaw   Prasenjit Ghosh
• [Pw_forum] How I can simulate charged slab with surface charge by QE   yavar pour azar
  • [Pw_forum] How I can simulate charged slab with surface charge by QE   Paolo Giannozzi
    • [Pw_forum] How I can simulate charged slab with surface charge by QE   Alexey Akimov
      • [Pw_forum] How I can simulate charged slab with surface charge by QE   yavar pour azar
• [Pw_forum] differences in vdW_kernel_table   Eduardo Ariel Menendez Proupin
  • [Pw_forum] differences in vdW_kernel_table   Paolo Giannozzi
• [Pw_forum] Negative frequencies at really low threshold convergence   Elie M
  • [Pw_forum] Negative frequencies at really low threshold convergence   Paolo Giannozzi
    • [Pw_forum] Negative frequencies at really low threshold convergence   Elie M
      • [Pw_forum] Negative frequencies at really low threshold convergence   Stefano Baroni
• [Pw_forum] How to modify the input file when testing virtual crystal pseudopotential?   Yue-Wen Fang
• [Pw_forum] Bug in QE 5.0 with ibrav=0 and using a instead of   Y. L. Li
• [Pw_forum] STM simulation   Cao TF
  • [Pw_forum] STM simulation   Guido Fratesi
• [Pw_forum] PAW+PBE0   florence liu
  • [Pw_forum] PAW+PBE0   Layla Martin-Samos
• [Pw_forum] pseudopotential for Sodium   Ananya mondal
  • [Pw_forum] pseudopotential for Sodium   Ananya Mondal
    • [Pw_forum] pseudopotential for Sodium   Yue-Wen Fang
      • [Pw_forum] pseudopotential for Sodium   Stefano de Gironcoli
      • [Pw_forum] pseudopotential for Sodium   Ananya Mondal
• [Pw_forum] pseudopotential for Vdw   bf azi
• [Pw_forum] Generation of H and O GIPAW PP   jérôme cuny
  • [Pw_forum] Generation of H and O GIPAW PP   Davide Ceresoli
    • [Pw_forum] Generation of H and O GIPAW PP   jérôme cuny
      • [Pw_forum] Generation of H and O GIPAW PP   Davide Ceresoli
• [Pw_forum] Question about InAs   Saeedeh S Ravandi
  • [Pw_forum] Question about InAs   Masoud
• [Pw_forum] Join to group , confirmation #   Saeedeh S Ravandi
  • [Pw_forum] Join to group , confirmation #   Yue-Wen Fang
• [Pw_forum] dapl_post_req resource ERR: dtos pending   Vijay Amirtharaj A
  • [Pw_forum] dapl_post_req resource ERR: dtos pending   Paolo Giannozzi
    • [Pw_forum] dapl_post_req resource ERR: dtos pending   Vijay Amirtharaj A
      • [Pw_forum] dapl_post_req resource ERR: dtos pending   Axel Kohlmeyer
• [Pw_forum] Pw_forum Digest, Vol 62, Issue 50   Saeedeh S Ravandi
• [Pw_forum] Memory usage by pw.x   Guido Fratesi
  • [Pw_forum] Memory usage by pw.x   Paolo Giannozzi
  • [Pw_forum] Memory usage by pw.x   Filippo Spiga
    • [Pw_forum] Memory usage by pw.x   Guido Fratesi
      • [Pw_forum] Memory usage by pw.x   Paolo Giannozzi
      • [Pw_forum] Memory usage by pw.x   Lorenzo Paulatto
      • [Pw_forum] Memory usage by pw.x   Simon Binnie
      • [Pw_forum] Memory usage by pw.x   Guido Fratesi
      • [Pw_forum] Memory usage by pw.x   Guido Fratesi
      • [Pw_forum] Memory usage by pw.x   Axel Kohlmeyer
• [Pw_forum] parallel processing   somayeh fotohi
  • [Pw_forum] parallel processing   Paolo Giannozzi
• [Pw_forum] InAs Pseudo HSE   Saeedeh S Ravandi
• [Pw_forum] q-points in the phonon calculations   Elie M
  • [Pw_forum] q-points in the phonon calculations   Paolo Giannozzi
• [Pw_forum] Possible bug(?) in q2r.x when using FFT routine in ESSL   Jiseok Kim
  • [Pw_forum] Possible bug(?) in q2r.x when using FFT routine in ESSL   Paolo Giannozzi
• [Pw_forum] Problem with Pseudopotentials and Input Information   Matthew M Montemore

Last message date: Fri Aug 31 22:55:25 CEST 2012
Archived on: Wed Feb 28 11:07:31 CET 2018

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