August 2023 Archives by thread

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Starting: Tue Aug 1 03:40:15 CEST 2023
Ending: Thu Aug 31 13:53:01 CEST 2023
Messages: 91

• [QE-users] Error of phonon calcualtions with Grimme's DFT-D3   Jibiao Li
• [QE-users] Why do I get a warning when using PWTK with HSE?   Tone Kokalj
• [QE-users] How use virtual_v2.x to obtain a mixed pseudopotential to Mo and W atoms?   Alysson Alves Pinto
• [QE-users] Negative frequencies for phonon dispersion in Bilayer MoS2   Giuseppe Scala
  • [QE-users] Negative frequencies for phonon dispersion in Bilayer MoS2   Cignarella Chiara
    • [QE-users] Negative frequencies for phonon dispersion in Bilayer MoS2   Giuseppe Scala
  • [QE-users] Negative frequencies for phonon dispersion in Bilayer MoS2   ANAND JHA
    • [QE-users] Negative frequencies for phonon dispersion in Bilayer MoS2   Giuseppe Scala
      • [QE-users] Negative frequencies for phonon dispersion in Bilayer MoS2   mkondrin at hppi.troitsk.ru
      • [QE-users] Negative frequencies for phonon dispersion in Bilayer MoS2   ANAND JHA
      • [QE-users] Negative frequencies for phonon dispersion in Bilayer MoS2   Giuseppe Scala
      • [QE-users] Negative frequencies for phonon dispersion in Bilayer MoS2   ANAND JHA
      • [QE-users] Negative frequencies for phonon dispersion in Bilayer MoS2   Giuseppe Scala
      • [QE-users] Negative frequencies for phonon dispersion in Bilayer MoS2   ANAND JHA
      • [QE-users] Negative frequencies for phonon dispersion in Bilayer MoS2   Vahid Askarpour
      • [QE-users] Negative frequencies for phonon dispersion in Bilayer MoS2   Vahid Askarpour
      • [QE-users] Negative frequencies for phonon dispersion in Bilayer MoS2   Giuseppe Scala
• [QE-users] running Hartree-Fock calculation   Jacopo Simoni
• [QE-users] Error in piezoelectric coefficients calculation (Berry phase)   Zimmi Singh
  • [QE-users] Error in piezoelectric coefficients calculation (Berry phase)   ANAND JHA
    • [QE-users] Error in piezoelectric coefficients calculation (Berry phase)   Paolo Giannozzi
  • [QE-users] Error in piezoelectric coefficients calculation (Berry phase)   Paolo Giannozzi
• [QE-users] Errors of phonon calcualtions with Grimme's DFT-D3   Jibiao Li
  • [QE-users] Errors of phonon calcualtions with Grimme's DFT-D3   Thomas Brumme
• [QE-users] kpoints.x   Dr. Pabitra Mandal
  • [QE-users] kpoints.x   ANAND JHA
    • [QE-users] kpoints.x   Dr. Pabitra Mandal
      • [QE-users] kpoints.x   Omar Ashour
      • [QE-users] kpoints.x   Dr. Pabitra Mandal
      • [QE-users] kpoints.x   Dr. Pabitra Mandal
      • [QE-users] kpoints.x   Vahid Askarpour
      • [QE-users] kpoints.x   Dr. Pabitra Mandal
      • [QE-users] kpoints.x   Vahid Askarpour
      • [QE-users] kpoints.x   Dr. Pabitra Mandal
      • [QE-users] kpoints.x   Paolo Giannozzi
      • [QE-users] kpoints.x   ANAND JHA
• [QE-users] How does one calculate dipole moments or access (readable) wave functions from e.g. PW?   Brian de Keijzer
  • [QE-users] How does one calculate dipole moments or access (readable) wave functions from e.g. PW?   Thomas Brumme
    • [QE-users] How does one calculate dipole moments or access (readable) wave functions from e.g. PW?   Stefano Baroni
      • [QE-users] How does one calculate dipole moments or access (readable) wave functions from e.g. PW?   Thomas Brumme
• [QE-users] How to run pw2wannier90 in library mode   Jacopo Simoni
• [QE-users] Random seed for MD calculations   Han Hsu (徐翰)
  • [QE-users] Random seed for MD calculations   Paolo Giannozzi
    • [QE-users] Random seed for MD calculations   Han Hsu (徐翰)
      • [QE-users] Random seed for MD calculations   Han Hsu (徐翰)
      • [QE-users] Random seed for MD calculations   Paolo Giannozzi
      • [QE-users] Random seed for MD calculations   Han Hsu (徐翰)
• [QE-users] difference between the internal PBE and the libxc one   Ayoub Aouina
  • [QE-users] difference between the internal PBE and the libxc one   Fabrizio Ferrari Ruffino
    • [QE-users] difference between the internal PBE and the libxc one   Ayoub Aouina
      • [QE-users] Print the gradient and Laplacian of the charge density   Ayoub Aouina
• [QE-users] Persistent 'ortho went bananas' Error in cp.x Run - Quantum Espresso   Vinay Maithani
  • [QE-users] Persistent 'ortho went bananas' Error in cp.x Run - Quantum Espresso   Vinay Maithani
    • [QE-users] Persistent 'ortho went bananas' Error in cp.x Run - Quantum Espresso   Mpayami
• [QE-users] law energy of MAE   imane BEZZAOUI
• [QE-users] QE crashing right after "Starting wfcs"   Luis Cebamanos
  • [QE-users] QE crashing right after "Starting wfcs"   Pietro Davide Delugas
• [QE-users] Fermi-Surface Nesting   Ramesh Kumar Kamadurai
  • [QE-users] Fermi-Surface Nesting   ukawamura u
    • [QE-users] Fermi-Surface Nesting   Chiara Cignarella
      • [QE-users] Fermi-Surface Nesting   Ramesh Kumar Kamadurai
• [QE-users] "c_bands: 1 eigenvalues not converged" in 'vc_relax'   Dr. Pabitra Mandal
• [QE-users] [Webinar] Can machine intelligence help us find the Universal Density Functional?   Dr.Mosab Banisalman
• [QE-users] Core-level hole annotation   Nathan Daelman
• [QE-users] Libxc   Boucherdoud Ahmed
  • [QE-users] Libxc   Husak Michal
• [QE-users] Postdoc position in advanced materials modeling using HPC at the Jožef Stefan Institute   Tone Kokalj
• [QE-users] Iron ibrav=3 bad magnetic moment in a large cell   Christian helman
  • [QE-users] Iron ibrav=3 bad magnetic moment in a large cell   Christian helman
• [QE-users] Quantum Espresso 7.2 with LibXC 6.2.2   Collins Nganou
  • [QE-users] Quantum Espresso 7.2 with LibXC 6.2.2   Fabrizio Ferrari Ruffino
• [QE-users] QE 7.2 compilation with new Intel compilers   Kliavinek, Sergei
  • [QE-users] R: QE 7.2 compilation with new Intel compilers   Pietro Davide Delugas
    • [QE-users] R: QE 7.2 compilation with new Intel compilers   Kliavinek, Sergei
      • [QE-users] R: R: QE 7.2 compilation with new Intel compilers   Pietro Davide Delugas
      • [QE-users] R: R: QE 7.2 compilation with new Intel compilers   Kliavinek, Sergei
      • [QE-users] R: R: QE 7.2 compilation with new Intel compilers   Paolo Giannozzi
• [QE-users] users Digest, Vol 193, Issue 20   Collins Nganou
• [QE-users] SCF Calculation with PBE0 Exchange-Correlation Functional   Aritri Roy
• [QE-users] Problem while running QE   Piotr Szkudlarek
  • [QE-users] Problem while running QE   Paolo Giannozzi
• [QE-users] disk space consumption   Konstantin Glazyrin
  • [QE-users] disk space consumption   Paolo Giannozzi
• [QE-users] Error in routine potinit (1): starting and expected charges differ   shen jiale
• [QE-users] [QE-GPU] Phonon calculation freezing without explanation   Owens, Jonathan (GE Vernova, US)
  • [QE-users] [QE-GPU] Phonon calculation freezing without explanation   pdelugas at sissa.it
  • [QE-users] [QE-GPU] Phonon calculation freezing without explanation   Owens, Jonathan (GE Vernova, US)
    • [QE-users] [QE-GPU] Phonon calculation freezing without explanation   Paolo Giannozzi
  • [QE-users] [QE-GPU] Phonon calculation freezing without explanation   Owens, Jonathan (GE Vernova, US)
• [QE-users] Error while compiling Unfold with Quantum ESPRESSO   NAIMI SALMA
  • [QE-users] Error while compiling Unfold with Quantum ESPRESSO   Pietro Bonfa'

Last message date: Thu Aug 31 13:53:01 CEST 2023
Archived on: Thu Aug 31 13:53:19 CEST 2023

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