February 2019 Archives by thread

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Starting: Fri Feb 1 12:40:54 CET 2019
Ending: Thu Feb 28 19:40:55 CET 2019
Messages: 173

• [QE-users] HSE Bandstructure with bigger q-Grid possible   Christoph Wolf
  • [QE-users] HSE Bandstructure with bigger q-Grid possible   Lorenzo Paulatto
• [QE-users] QE 6.3-backports + ENVIRON-1.0 installation   Giuseppe Mattioli
  • [QE-users] QE 6.3-backports + ENVIRON-1.0 installation   Francesco Nattino
    • [QE-users] QE 6.3-backports + ENVIRON-1.0 installation   Giuseppe Mattioli
    • [QE-users] QE 6.3-backports + ENVIRON-1.0 installation   Giuseppe Mattioli
      • [QE-users] [EXT] Re: QE 6.3-backports + ENVIRON-1.0 installation   Andreussi, Oliviero
      • [QE-users] [EXT] Re: QE 6.3-backports + ENVIRON-1.0 installation   Giuseppe Mattioli
• [QE-users] Convergence Problem   Paolo Costa
  • [QE-users] Convergence Problem   pboulet
    • [QE-users] Convergence Problem   Paolo Giannozzi
      • [QE-users] Convergence Problem   Paolo Costa
      • [QE-users] Convergence Problem   Paolo Costa
      • [QE-users] Convergence Problem   Nicola Marzari
• [QE-users] turbo_lanczos error   Mohamed Ahmed Abd-Elati
  • [QE-users] turbo_lanczos error   Oscar Baseggio
• [QE-users] weird CPU and WALL time report   IORI, Federico
  • [QE-users] weird CPU and WALL time report   Paolo Giannozzi
    • [QE-users] weird CPU and WALL time report   IORI, Federico
• [QE-users] dos   Masumeh
  • [QE-users] dos   Giuseppe Mattioli
• [QE-users] TDDFT for periodic structure   Mohamed Ahmed Abd-Elati
  • [QE-users] TDDFT for periodic structure   Timrov Iurii
• [QE-users] Spin Orbit Coupling with PAW PseudoPotentials (Full Relativistic PBESOL from pslib) and gaupbe xc   Abdul Shaik
• [QE-users] Neb.x Error   Abdul Shaik
  • [QE-users] Neb.x Error   Abdul Shaik
    • [QE-users] Neb.x Error   Lorenzo Paulatto
      • [QE-users] Neb.x Error   Paolo Giannozzi
• [QE-users] Broken symmetry DFT   Fedaa Nada
• [QE-users] problem with cppp version qe62   Merlin Meheut
• [QE-users] GPU version, NVIDIA Tesla P4   Michal Krompiec
  • [QE-users] GPU version, NVIDIA Tesla P4   pietro.bonfa at fis.unipr.it
• [QE-users] Environ Cube files   Lance Kavalsky
  • [QE-users] [EXT] Environ Cube files   Andreussi, Oliviero
• [QE-users] Convergence in Hexagonal Systems   Anuja Chanana
  • [QE-users] Convergence in Hexagonal Systems   Dr. Thomas Brumme
    • [QE-users] Convergence in Hexagonal Systems   Dr. Thomas Brumme
• [QE-users] reading dVscf problem   Xiaowei Zhang
  • [QE-users] reading dVscf problem   Lorenzo Paulatto
• [QE-users] Error in Average.x   GAO Yuxiang
  • [QE-users] Error in Average.x   Paolo Giannozzi
    • [QE-users] 答复: Error in Average.x   GAO Yuxiang
      • [QE-users] 答复: Error in Average.x   Paolo Giannozzi
• [QE-users] imaginary frequency reported for fixed atoms by ph.x   兵临城下
• [QE-users] Manganese non colinear magnetization SCF calculation is not converging   Mashroor Nitol
• [QE-users] specifying in input file what states I want to treat as semi-core   Caraiani Claudiu
  • [QE-users] specifying in input file what states I want to treat as semi-core   Paolo Giannozzi
• [QE-users] neb.x parameters   Offermans Willem
• [QE-users] erratic segfault in neb.x   Giuseppe Mattioli
  • [QE-users] erratic segfault in neb.x   Pietro Davide Delugas
    • [QE-users] erratic segfault in neb.x   Giuseppe Mattioli
• [QE-users] NEB calculation no symmetry found   Offermans Willem
  • [QE-users] NEB calculation no symmetry found   Offermans Willem
    • [QE-users] NEB calculation no symmetry found   Stefano Baroni
      • [QE-users] NEB calculation no symmetry found   Offermans Willem
      • [QE-users] NEB calculation no symmetry found   Offermans Willem
      • [QE-users] NEB calculation no symmetry found   Paolo Giannozzi
      • [QE-users] NEB calculation no symmetry found   Paolo Giannozzi
      • [QE-users] NEB calculation no symmetry found   Offermans Willem
      • [QE-users] NEB calculation no symmetry found   Paolo Giannozzi
      • [QE-users] NEB calculation no symmetry found   Fabrizio Cossu
      • [QE-users] NEB calculation no symmetry found   Giovanni Cantele
      • [QE-users] NEB calculation no symmetry found   Offermans Willem
• [QE-users] HFX and USPP (QE6.3)   Tobias Kloeffel
  • [QE-users] HFX and USPP (QE6.3)   Lorenzo Paulatto
    • [QE-users] HFX and USPP (QE6.3)   Tobias Kloeffel
      • [QE-users] HFX and USPP (QE6.3)   Paolo Giannozzi
      • [QE-users] HFX and USPP (QE6.3)   Michal Krompiec
• [QE-users] Fwd: simulate capacitor   ZOHRE JAVDANI
• [QE-users] Non-colinear magnetism of alpha-Manganese   Mashroor Nitol
• [QE-users] collaborative work...   Sohail Ahmad
• [QE-users] Error while running Quantum Espresso with Intel MPI   DAVID BARCENE
  • [QE-users] Error while running Quantum Espresso with Intel MPI   Will DeBenedetti
    • [QE-users] Error while running Quantum Espresso with Intel MPI   Nicola Marzari
    • [QE-users] Error while running Quantum Espresso with Intel MPI   DAVID BARCENE
• [QE-users] Problem with tetrahedra method: from tetra_init : error # 26, cannot remap grid on k-point list   Pacome NGUIMEYA
  • [QE-users] Problem with tetrahedra method: from tetra_init : error # 26, cannot remap grid on k-point list   Pietro Davide Delugas
    • [QE-users] Problem with tetrahedra method: from tetra_init : error # 26, cannot remap grid on k-point list   Oleksandr Motornyi
      • [QE-users] Problem with tetrahedra method: from tetra_init : error # 26, cannot remap grid on k-point list   Pietro Davide Delugas
  • [QE-users] Problem with tetrahedra method: from tetra_init : error # 26, cannot remap grid on k-point list   Paolo Giannozzi
• [QE-users] niter_cg_restart parameter in cp.x   Zeeshan Ahmad
  • [QE-users] niter_cg_restart parameter in cp.x   Riccardo Bertossa
• [QE-users] PDOS for isolated gas molecule   LEUNG Clarence
  • [QE-users] PDOS for isolated gas molecule   Paolo Giannozzi
    • [QE-users] 答复: PDOS for isolated gas molecule   LEUNG Clarence
      • [QE-users] 答复: PDOS for isolated gas molecule   Paolo Giannozzi
• [QE-users] exact exchange   Sam Azadi
• [QE-users] Problems computing Cholesky   Zhao-Bin Ding
• [QE-users] CONTCAR to QE-input   Naseem Hassan
  • [QE-users] CONTCAR to QE-input   José C. Conesa
  • [QE-users] CONTCAR to QE-input   K. Doblhoff-Dier
• [QE-users] PHONON: no convergence in scf   Fabrizio Cossu
• [QE-users] FeS   Mahsa Soltani
  • [QE-users] FeS   Mahsa Soltani
  • [QE-users] FeS   Mahsa Soltani
• [QE-users] Tetragonal   Mahsa Soltani
• [QE-users] How to find the total energy of a wavefunction   John McFarland
• [QE-users] General problems in calculation and interpretation of PDOS   Parisa alipour kamran
  • [QE-users] General problems in calculation and interpretation of PDOS   Giuseppe Mattioli
• [QE-users] Ask about more processes have sent help   Nguyễn Trung Hiếu
• [QE-users] about the option "assume_isolated=2D"   Juliana Morbec
  • [QE-users] about the option "assume_isolated=2D"   sohier
  • [QE-users] about the option "assume_isolated=2D"   Juliana Morbec
• [QE-users] large negative rho   K. Doblhoff-Dier
• [QE-users] Problem with generating q-points for lambda   Arena Konta
  • [QE-users] Problem with generating q-points for lambda   Hari Paudyal
  • [QE-users] Problem with generating q-points for lambda   Paolo Giannozzi
• [QE-users] apply constant velocity on the atoms   Lu Hailin
• [QE-users] Some questions about pw2wannier90   曹志鹏
• [QE-users] Fwd: What are the nsum and the Tr[ns(na)] ?   Victor augusto Hoyos sinchi
  • [QE-users] Fwd: What are the nsum and the Tr[ns(na)] ?   Giuseppe Mattioli
• [QE-users] Problem with PDOS output file   Juan Manuel Radear
  • [QE-users] Problem with PDOS output file   Paolo Giannozzi
    • [QE-users] 7 PhD positions at SISSA   Stefano de Gironcoli
• [QE-users] [QE users] Fake/Fictional Hydrogen Pseudopotential   dv009200 at fh-muenster.de
  • [QE-users] [QE users] Fake/Fictional Hydrogen Pseudopotential   Nicola Marzari
  • [QE-users] [QE users] Fake/Fictional Hydrogen Pseudopotential   Paolo Giannozzi
    • [QE-users] [QE users] Fake/Fictional Hydrogen Pseudopotential   dv009200 at fh-muenster.de
• [QE-users] pw2casino mismatch energy error   Wai-Ga Ho
  • [QE-users] pw2casino mismatch energy error   Paolo Giannozzi
    • [QE-users] pw2casino mismatch energy error   Paolo Giannozzi
  • [QE-users] pw2casino mismatch energy error   Wai-Ga Ho
• [QE-users] non-convergent scf calculation on organometal perovskite structure   Julien Barbaud
  • [QE-users] non-convergent scf calculation on organometal perovskite structure   Fabrizio Cossu
    • [QE-users] non-convergent scf calculation on organometal perovskite structure   Julien Barbaud
      • [QE-users] non-convergent scf calculation on organometal perovskite structure   Fabrizio Cossu
  • [QE-users] non-convergent scf calculation on organometal perovskite structure   Pietro Davide Delugas
    • [QE-users] non-convergent scf calculation on organometal perovskite structure   Julien Barbaud
      • [QE-users] non-convergent scf calculation on organometal perovskite structure   Julien Barbaud
      • [QE-users] non-convergent scf calculation on organometal perovskite structure   Pietro Delugas
      • [QE-users] non-convergent scf calculation on organometal perovskite structure   dv009200 at fh-muenster.de
      • [QE-users] non-convergent scf calculation on organometal perovskite structure   Julien Barbaud
      • [QE-users] non-convergent scf calculation on organometal perovskite structure   Nicola Marzari
• [QE-users] "Basin Hopping" algorithm for pwscf?   Christoph Wolf
  • [QE-users] "Basin Hopping" algorithm for pwscf?   Weitzner, Stephen Eric
• [QE-users] restart pw.x md using cp.x outputs   Zeeshan Ahmad
  • [QE-users] restart pw.x md using cp.x outputs   Paolo Giannozzi
• [QE-users] Problem with PDOS output file (Paolo Giannozzi)   Juan Manuel Radear
  • [QE-users] Problem with PDOS output file (Paolo Giannozzi)   Nicola Marzari
• [QE-users] [SUSPICIOUS MESSAGE] Question on Initial and final energies in NEB   Giuseppe Mattioli
• [QE-users] [SUSPICIOUS MESSAGE] unexpected burst of messages   Giuseppe Mattioli
  • [QE-users] [SUSPICIOUS MESSAGE] unexpected burst of messages   Paolo Giannozzi
• [QE-users] The virtual.x problems   Fabio Costa
  • [QE-users] The virtual.x problems   Paolo Giannozzi
  • [QE-users] The virtual.x problems   Pietro Delugas
    • [QE-users] The virtual.x problems   Fabio Costa
      • [QE-users] The virtual.x problems   Pietro Delugas
      • [QE-users] The virtual.x problems   Fabio Costa
      • [QE-users] The virtual.x problems   Pietro Delugas
      • [QE-users] The virtual.x problems   Fabio Costa
  • [QE-users] The virtual.x problems   Pietro Delugas
• [QE-users] (no subject)   Bharat Thapa
  • [QE-users] (no subject)   Paolo Giannozzi
• [QE-users] Phonons with images   Malte Sachs
  • [QE-users] Phonons with images   Paolo Giannozzi
• [QE-users] Phonon Calculation erroneous   Offermans Willem
  • [QE-users] Phonon Calculation erroneous   Lorenzo Paulatto
• [QE-users] ABS for metal   Mohamed Ahmed Abd-Elati
  • [QE-users] ABS for metal   Timrov Iurii
  • [QE-users] ABS for metal   Nicola Marzari
• [QE-users] cDFT with PAW   Małgorzata Wawrzyniak-Adamczewska
  • [QE-users] cDFT with PAW   Marzari Nicola
• [QE-users] Error - Projwfc   Paolo Costa
  • [QE-users] Error - Projwfc   Oleksandr Motornyi
  • [QE-users] Error - Projwfc   Paolo Costa
    • [QE-users] Error - Projwfc   Giuseppe Mattioli
• [QE-users] Wannier90 v3.0.0 new major release   Giovanni Pizzi
• [QE-users] Software developer positions at IOM-CNR   Paolo Giannozzi
  • [QE-users] Software developer positions at IOM-CNR   Giuseppe Mattioli
• [QE-users] WEST CODE 3.0   Lucas Nicolás Lodeiro Moraga
  • [QE-users] 答复: WEST CODE 3.0   Zhou Jianqiang
    • [QE-users] 答复: 答复: WEST CODE 3.0   Zhou Jianqiang
      • [QE-users] 答复: 答复: WEST CODE 3.0   José C. Conesa

Last message date: Thu Feb 28 19:40:55 CET 2019
Archived on: Thu Feb 28 19:40:05 CET 2019

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