June 2025 Archives by thread

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Starting: Sun Jun 1 01:07:45 CEST 2025
Ending: Mon Jun 30 16:48:45 CEST 2025
Messages: 73

• [QE-users] phonon dispersion   Ivan Dario Arellano Ramirez
  • [QE-users] phonon dispersion   Paolo Giannozzi
    • [QE-users] phonon dispersion   Paolo Giannozzi
    • [QE-users] phonon dispersion   Lorenzo Paulatto
    • [QE-users] phonon dispersion   Ivan Dario Arellano Ramirez
• [QE-users] Trouble with MoSe2   Giovanni Cantele
  • [QE-users] Trouble with MoSe2   AMOGH A .
• [QE-users] Non-collinear magnetism MPI run   Marios Georgiou
  • [QE-users] Non-collinear magnetism MPI run   Paolo Giannozzi
• [QE-users] Preserve space group during relaxation   Dr. Sheharyar Pervez Assistant Professor FES
  • [QE-users] Preserve space group during relaxation   Lorenzo Paulatto
• [QE-users] phonon linewidth calculation   Ivan Dario Arellano Ramirez
  • [QE-users] phonon linewidth calculation   Lorenzo Paulatto
    • [QE-users] phonon linewidth calculation   Ivan Dario Arellano Ramirez
      • [QE-users] phonon linewidth calculation   Lorenzo Paulatto
      • [QE-users] phonon linewidth calculation   Ivan Dario Arellano Ramirez
      • [QE-users] phonon linewidth calculation   Lorenzo Paulatto
• [QE-users] Error while running quantum espresso in Macos   Monika Srivastava
• [QE-users] [GGA PBE error]   박기명
• [QE-users] Segmentation Fault in QE calculation   Sayan Mandal
  • [QE-users] Segmentation Fault in QE calculation   Paolo Giannozzi
• [QE-users] ld1.x problem for testing pseudo potential   Tomoya Naito
  • [QE-users] ld1.x problem for testing pseudo potential   Lorenzo Paulatto
    • [QE-users] ld1.x problem for testing pseudo potential   Tomoya Naito
• [QE-users] manual choosing random_seed   Mpayami
  • [QE-users] manual choosing random_seed   Mpayami
• [QE-users] Compile error of QE-7.4.1   jibiaoli
  • [QE-users] Compile error of QE-7.4.1   Paolo Giannozzi
    • [QE-users] Compile error of QE-7.4.1   Pietro Davide Delugas
• [QE-users] Run error of local density of electronic entropy   jibiaoli
  • [QE-users] Run error of local density of electronic entropy   Paolo Giannozzi
• [QE-users] Wrong data of reduced density gradient   jibiaoli
• [QE-users] Run error of Product of the electron density (charge) and the second eigenvalue of the electron-density Hessian matrix   jibiaoli
• [QE-users] Run error of density overlap regions indicator   jibiaoli
• [QE-users] Issue with scf_elastic_constants Calculation in thermo_pw (frozen_ions=.FALSE.)   Vinay Maithani
• [QE-users] force_convergence_criteria   Saroj Kumari, Dr
• [QE-users] PWgui-7.0 cannot find itk in qe-7.4.1   Lustig, Steve
  • [QE-users] PWgui-7.0 cannot find itk in qe-7.4.1   Paolo Giannozzi
    • [QE-users] PWgui-7.0 cannot find itk in qe-7.4.1   Lustig, Steve
      • [QE-users] PWgui-7.0 cannot find itk in qe-7.4.1   Tone Kokalj
  • [QE-users] Quantum Mobile 24.04.0 has qe-7.4.1 which is a broken version of Quantum Espresso   Lustig, Steve
    • [QE-users] Quantum Mobile 24.04.0 has qe-7.4.1 which is a broken version of Quantum Espresso   Tone Kokalj
      • [QE-users] Quantum Mobile 24.04.0 has qe-7.4.1 which is a broken version of Quantum Espresso   Lustig, Steve
      • [QE-users] Quantum Mobile 24.04.0 has qe-7.4.1 which is a broken version of Quantum Espresso   Pietro Davide Delugas
      • [QE-users] Quantum Mobile 24.04.0 has qe-7.4.1 which is a broken version of Quantum Espresso   Lustig, Steve
    • [QE-users] Quantum Mobile 24.04.0 has qe-7.4.1 which is a broken version of Quantum Espresso   Pietro Davide Delugas
      • [QE-users] Quantum Mobile 24.04.0 has qe-7.4.1 which is a broken version of Quantum Espresso   Lustig, Steve
      • [QE-users] Quantum Mobile 24.04.0 has qe-7.4.1 which is a broken version of Quantum Espresso   Pietro Davide Delugas
      • [QE-users] Quantum Mobile 24.04.0 has qe-7.4.1 which is a broken version of Quantum Espresso   Lustig, Steve
• [QE-users] The real space wavefunction by wfck2r.x   Yuvam Bhateja
  • [QE-users] The real space wavefunction by wfck2r.x   Paolo Giannozzi
• [QE-users] Question about |psi|^2 2D plot (XCrySDen)   toshi1higu at docomo.ne.jp
  • [QE-users] Question about |psi|^2 2D plot (XCrySDen)   Paolo Giannozzi
    • [QE-users] Question about |psi|^2 2D plot (XCrySDen)   toshi1higu at docomo.ne.jp
    • [QE-users] Question about |psi|^2 2D plot (XCrySDen)   toshi1higu at docomo.ne.jp
• [QE-users] Bloch (Kohn-Sham) orbitals in QE calculations   Shubham Patel
  • [QE-users] Bloch (Kohn-Sham) orbitals in QE calculations   Davide Ceresoli
    • [QE-users] Bloch (Kohn-Sham) orbitals in QE calculations   Shubham Patel
      • [QE-users] Bloch (Kohn-Sham) orbitals in QE calculations   Paolo Giannozzi
• [QE-users] ⚛️ See the GRIR443 benchmark in action — no supercomputer needed ⚛️   Eunice Oliveira
  • [QE-users] ⚛️ See the GRIR443 benchmark in action — no supercomputer needed ⚛️   Stefano Baroni
• [QE-users] Lattice Constant Choice for Ni₂TiGe (Full-Heusler) Calculations   Jonathan Konyi Kakulu
  • [QE-users] Lattice Constant Choice for Ni₂TiGe (Full-Heusler) Calculations   Lorenzo Paulatto
• [QE-users] Negative modes in phonon dispersion calculation   LEKSHMI S M .
• [QE-users] QE-GPU, problems with cp.x   Valentina Tozzini
• [QE-users] Calculation of kinetic energy   ALFONSO GALLO BUENO
  • [QE-users] Calculation of kinetic energy   Paolo Giannozzi
    • [QE-users] Calculation of kinetic energy   ALFONSO GALLO BUENO
• [QE-users] Problem with computed bandgap   AISWARYA CHANDRAN
  • [QE-users] Problem with computed bandgap   Lorenzo Paulatto
• [QE-users] qe compiled with aocc and aocl is incompatible with ph.x   半城烟沙
  • [QE-users] qe compiled with aocc and aocl is incompatible with ph.x   Paolo Giannozzi
• [QE-users] Band Gap value mismatch   Sayan Mandal

Last message date: Mon Jun 30 16:48:45 CEST 2025
Archived on: Tue Jul 1 08:21:43 CEST 2025

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