March 2022 Archives by thread

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Starting: Tue Mar 1 00:38:29 CET 2022
Ending: Thu Mar 31 22:47:10 CEST 2022
Messages: 109

• [QE-users] Defining C diamond structure cp.x   Juniper Savchick
  • [QE-users] Defining C diamond structure cp.x   Marcelo Falcão de Oliveira
    • [QE-users] Defining C diamond structure cp.x   Michal Husak
• [QE-users] Discrepancy in thermal electronic free energy using THERMO_PW   Elio Physics
• [QE-users] convergence testing very high dual parameter ecutrho for ultrasoft pseudopotential   Johannes Meusburger - STFC UKRI
  • [QE-users] convergence testing very high dual parameter ecutrho for ultrasoft pseudopotential   Giovanni Cantele
    • [QE-users] convergence testing very high dual parameter ecutrho for ultrasoft pseudopotential   Johannes Meusburger - STFC UKRI
• [QE-users] QE-GPU: Discrepancy in forces and problem in using OMP threading   Manish Kumar
  • [QE-users] QE-GPU: Discrepancy in forces and problem in using OMP threading   Andrey Chibisov
  • [QE-users] QE-GPU: Discrepancy in forces and problem in using OMP threading   Filippo Spiga
    • [QE-users] QE-GPU: Discrepancy in forces and problem in using OMP threading   Filippo Spiga
      • [QE-users] QE-GPU: Discrepancy in forces and problem in using OMP threading   Manish Kumar
      • [QE-users] QE-GPU: Discrepancy in forces and problem in using OMP threading   Filippo Spiga
• [QE-users] banduppy for band unfolding   kenneth senados
  • [QE-users] banduppy for band unfolding   Lorenzo Paulatto
  • [QE-users] banduppy for band unfolding   Nicola Marzari
  • [QE-users] banduppy for band unfolding   Marcelo Falcão de Oliveira
• [QE-users] Critical temperature calculations in Quantum Espresso 7.0   Piotr Szkudlarek
• [QE-users] symmetry traces in sym_band.f90   Gerson J. Ferreira
  • [QE-users] symmetry traces in sym_band.f90   Hongyi Zhao
    • [QE-users] symmetry traces in sym_band.f90   Gerson J. Ferreira
      • [QE-users] symmetry traces in sym_band.f90   Hongyi Zhao
      • [QE-users] Can anybody explain, how does QE work with space group symmetry ?   Husak Michal
      • [QE-users] symmetry traces in sym_band.f90   Gerson J. Ferreira
      • [QE-users] symmetry traces in sym_band.f90   Gerson J. Ferreira
      • [QE-users] symmetry traces in sym_band.f90   Hongyi Zhao
      • [QE-users] symmetry traces in sym_band.f90   Hongyi Zhao
      • [QE-users] symmetry traces in sym_band.f90   Gerson J. Ferreira
      • [QE-users] symmetry traces in sym_band.f90   Hongyi Zhao
      • [QE-users] symmetry traces in sym_band.f90   Gerson J. Ferreira
      • [QE-users] symmetry traces in sym_band.f90   Hongyi Zhao
      • [QE-users] symmetry traces in sym_band.f90   Gerson J. Ferreira
      • [QE-users] symmetry traces in sym_band.f90   Hongyi Zhao
      • [QE-users] symmetry traces in sym_band.f90   Gerson J. Ferreira
      • [QE-users] symmetry traces in sym_band.f90   Hongyi Zhao
      • [QE-users] symmetry traces in sym_band.f90   Gerson J. Ferreira
      • [QE-users] symmetry traces in sym_band.f90   Hongyi Zhao
      • [QE-users] symmetry traces in sym_band.f90   Hongyi Zhao
      • [QE-users] symmetry traces in sym_band.f90   Hongyi Zhao
      • [QE-users] symmetry traces in sym_band.f90   Hongyi Zhao
• [QE-users] [SPAM] A problem about cell_dofree='ibrav'   Tianhua Wang
  • [QE-users] [SPAM] A problem about cell_dofree='ibrav'   Paolo Giannozzi
• [QE-users] qe-gpu 7.0 - compilation issue (MKL not detected)   Giovanni Cantele
  • [QE-users] R: qe-gpu 7.0 - compilation issue (MKL not detected)   Pietro Davide Delugas
    • [QE-users] qe-gpu 7.0 - compilation issue (MKL not detected)   Giovanni Cantele
      • [QE-users] qe-gpu 7.0 - compilation issue (MKL not detected)   Paolo Giannozzi
      • [QE-users] qe-gpu 7.0 - compilation issue (MKL not detected)   Ye Luo
      • [QE-users] qe-gpu 7.0 - compilation issue (MKL not detected)   Giovanni Cantele
    • [QE-users] R: qe-gpu 7.0 - compilation issue (MKL not detected)   Ye Luo
  • [QE-users] qe-gpu 7.0 - compilation issue (MKL not detected)   Paolo Giannozzi
• [QE-users] Different ELF values with QE 7.0   Roman Lucrezi
  • [QE-users] Different ELF values with QE 7.0   Paolo Giannozzi
    • [QE-users] Different ELF values with QE 7.0   Roman Lucrezi
      • [QE-users] Different ELF values with QE 7.0   Roman Lucrezi
      • [QE-users] Different ELF values with QE 7.0   Roman Lucrezi
      • [QE-users] Different ELF values with QE 7.0   Paolo Giannozzi
      • [QE-users] Different ELF values with QE 7.0   Paolo Giannozzi
      • [QE-users] Different ELF values with QE 7.0   Roman Lucrezi
• [QE-users] on VCA for use in d3q calculation   kenneth senados
  • [QE-users] on VCA for use in d3q calculation   Lorenzo Paulatto
    • [QE-users] on VCA for use in d3q calculation   kenneth senados
      • [QE-users] on VCA for use in d3q calculation   Lorenzo Paulatto
• [QE-users] Pseudopotentials for all-electron DFT calculations   John McFarland
  • [QE-users] Pseudopotentials for all-electron DFT calculations   Nicola Marzari
• [QE-users] "Eigenvectors exchange needed " in the ph.x calculation   Gang Yang
• [QE-users] [hp.x] Error in routine diropn (99)   a.pramos
• [QE-users] Test Crashes: UPF not readable   Guerlek, Burak
  • [QE-users] Test Crashes: UPF not readable   Takahiro Chiba
  • [QE-users] Test Crashes: UPF not readable   Paolo Giannozzi
• [QE-users] Total magnetization different to absolute magnetization FM   Antonio Pancho Ramirez
• [QE-users] Compute elastic constants at given volume   Pooja Vyas
• [QE-users] Error in ph.x   alexander de la Luz
  • [QE-users] Error in ph.x   Paolo Giannozzi
• [QE-users] IR calculation for oriented single crystal   Zack Gainsforth
  • [QE-users] IR calculation for oriented single crystal   Lorenzo Paulatto
  • [QE-users] IR calculation for oriented single crystal   John Kendrick
• [QE-users] HSE06 band structure calculation   DHILSHADA V.N.
• [QE-users] The difference of two wavefunctions from two methods   徐思源
• [QE-users] Some chi were not found error   a.pramos
• [QE-users] Slow convergence   Максим Арсентьев
  • [QE-users] Slow convergence   Paolo Giannozzi
    • [QE-users] Slow convergence   Paolo Giannozzi
      • [QE-users] Slow convergence   Nicola Marzari
      • [QE-users] Slow convergence   Максим Арсентьев
      • [QE-users] Slow convergence   BARRETEAU Cyrille
      • [QE-users] Slow convergence   Максим Арсентьев
• [QE-users] Complex band structure output files   ahmed benyahia
• [QE-users] GPU   SAID OUKAHOU
• [QE-users] S matrix not positive definite   jgsi at foxmail.com
• [QE-users] Query regarding restarting the relax calculation with updated parameters   Dr. K. C. Bhamu
• [QE-users] INTERSECT project and IM2D events   Francesca Garofalo
• [QE-users] [QE-Users]Bader charge analysis using USPP   Anson Thomas
  • [QE-users] [QE-Users]Bader charge analysis using USPP   Giuseppe Mattioli
• [QE-users] How to compute spin projections?   Luiz Gustavo Davanse da Silveira
  • [QE-users] How to compute spin projections?   Hongyi Zhao
  • [QE-users] How to compute spin projections?   Lorenzo Paulatto
    • [QE-users] How to compute spin projections?   Luiz Gustavo Davanse da Silveira
      • [QE-users] How to compute spin projections?   Thomas Brumme
      • [QE-users] How to compute spin projections?   Luiz Gustavo Davanse da Silveira
  • [QE-users] How to compute spin projections?   Hongyi Zhao
    • [QE-users] How to compute spin projections?   Hongyi Zhao
      • [QE-users] How to compute spin projections?   Luiz Gustavo Davanse da Silveira
      • [QE-users] How to compute spin projections?   Hongyi Zhao
      • [QE-users] How to compute spin projections?   Hongyi Zhao
• [QE-users] TR: Erreur from pw2wannier   milouda bessimou
• [QE-users] Absorption spectrum using TDDFPT (turbo_lanczos.x)   Vivek Christhunathan
  • [QE-users] R: Absorption spectrum using TDDFPT (turbo_lanczos.x)   Oscar Baseggio
  • [QE-users] Absorption spectrum using TDDFPT (turbo_lanczos.x)   Vivek Christhunathan
    • [QE-users] Absorption spectrum using TDDFPT (turbo_lanczos.x)   Giuseppe Mattioli

Last message date: Thu Mar 31 22:47:10 CEST 2022
Archived on: Thu Mar 31 22:33:45 CEST 2022

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