December 2021 Archives by thread

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Starting: Wed Dec 1 04:24:53 CET 2021
Ending: Fri Dec 31 22:47:07 CET 2021
Messages: 137

• [QE-users] DFT convergence problem   Dr. SUNIL KUMAR
• [QE-users] convergence issue in DFT_U+V calculation   Dr. K. C. Bhamu
  • [QE-users] convergence issue in DFT_U+V calculation   Matteo Cococcioni
    • [QE-users] convergence issue in DFT_U+V calculation   Iurii TIMROV
      • [QE-users] convergence issue in DFT_U+V calculation   Dr. K. C. Bhamu
    • [QE-users] convergence issue in DFT_U+V calculation   Dr. K. C. Bhamu
      • [QE-users] convergence issue in DFT_U+V calculation   Matteo Cococcioni
• [QE-users] DFT relaxation steps   Giuseppe Mattioli
• [QE-users] Regarding quantum espresso input   DHILSHADA V.N.
  • [QE-users] Regarding quantum espresso input   DHILSHADA V.N.
• [QE-users] QE6.8 installation failure on Mac Big Sur   Paolo Giannozzi
  • [QE-users] QE6.8 installation failure on Mac Big Sur   Paolo Giannozzi
    • [QE-users] Error in routine good_fft_order (1):   Michal Husak
    • [QE-users] QE6.8 installation failure on Mac Big Sur   Yifan Zhou
• [QE-users] regarding day 4 max QE-2021: Hands-on session – Day-4 Advanced functionals Iurii Timrov (EPFL, Switzerland)   Dr.A. B. Yadav SVEC
  • [QE-users] regarding day 4 max QE-2021: Hands-on session – Day-4 Advanced functionals Iurii Timrov (EPFL, Switzerland)   Iurii TIMROV
• [QE-users] (no subject)   mohamed maymoun
• [QE-users] bands Edge position with respect to vacuum   mohamed maymoun
• [QE-users] Error when using np1,np2,np3 variables in cppp.x input   Mahmoud Payami Shabestari
  • [QE-users] Error when using np1, np2, np3 variables in cppp.x input   Paolo Giannozzi
    • [QE-users] Error when using np1, np2, np3 variables in cppp.x input   Mahmoud Payami Shabestari
• [QE-users] Nose thermostat   Mahmoud Payami Shabestari
  • [QE-users] Nose thermostat   Mahmoud Payami Shabestari
    • [QE-users] Nose thermostat   Mahmoud Payami Shabestari
• [QE-users] Systematic failure of PAW PP testing   Paolo Giannozzi
• [QE-users] Are there any problems with my DOS results?   José Xavier
• [QE-users] Enquiry about electron-phonon calculation   Elio Physics
  • [QE-users] Enquiry about electron-phonon calculation   Lorenzo Paulatto
    • [QE-users] Enquiry about electron-phonon calculation   Nicola Marzari
      • [QE-users] Enquiry about electron-phonon calculation   Paolo Giannozzi
      • [QE-users] Enquiry about electron-phonon calculation   Elio Physics
      • [QE-users] there are process with no planes   Michal Husak
      • [QE-users] there are process with no planes   Lorenzo Paulatto
• [QE-users] Normal modes with nat_todo giving unphysical results   Sriram Goverapet Srinivasan
• [QE-users] [[QE-GPU]Can't find include file fftw3.f03(QE-7.0-rc1)   kuangll
  • [QE-users] [[QE-GPU]Can't find include file fftw3.f03(QE-7.0-rc1)   Paolo Giannozzi
  • [QE-users] [[QE-GPU]Can't find include file fftw3.f03(QE-7.0-rc1)   Ye Luo
    • [QE-users] [[QE-GPU]Can't find include file fftw3.f03(QE-7.0-rc1)   kuangll
• [QE-users] How should I visualize outcomes of cp molecular dynamics   Jibiao Li
  • [QE-users] libxc needed for this functional - QE bulid with libxc   Michal Husak
    • [QE-users] libxc needed for this functional - QE bulid with libxc   Fabrizio Ferrari
    • [QE-users] libxc needed for this functional - QE bulid with libxc   Paolo Giannozzi
      • [QE-users] libxc needed for this functional - QE bulid with libxc   Michal Husak
• [QE-users] Convergence in SCF calculation   mabola safar
• [QE-users] incorrect lattice parameter for tetragonal Ca-pv   Pooja Vyas
• [QE-users] Parallel pw.x/pp.x Fortran runtime error: File cannot be deleted   Belal Raza
  • [QE-users] Parallel pw.x/pp.x Fortran runtime error: File cannot be deleted   Paolo Giannozzi
• [QE-users] dvscf from PHonon code   Sungwoo Lee
  • [QE-users] dvscf from PHonon code   Lorenzo Paulatto
  • [QE-users] dvscf from PHonon code   Sungwoo Lee
• [QE-users] PWSCF calculation wavefunction   Yifan Zhou
  • [QE-users] PWSCF calculation wavefunction   Paolo Giannozzi
    • [QE-users] PWSCF calculation wavefunction   Yifan Zhou
      • [QE-users] PWSCF calculation wavefunction   Paolo Giannozzi
• [QE-users] [External Email] absence of DOS above Fermi level   Tarek Hammad
• [QE-users] Fwd: [External Email] absence of DOS above Fermi level   Tarek Hammad
  • [QE-users] Fwd: [External Email] absence of DOS above Fermi level   Hari Paudyal
• [QE-users] Upcoming Materials Square Webinar: "Computational chemistry as the missing piece in the characterization puzzle of biological mineralization"   Gabriele Mogni
• [QE-users] about the ph.x serial (MPI) execution   Gang Yang
  • [QE-users] about the ph.x serial (MPI) execution   Paolo Giannozzi
• [QE-users] Covergence problem with different size of cell   Jiawei Zhao
  • [QE-users] Covergence problem with different size of cell   Husak Michal
    • [QE-users] Covergence problem with different size of cell   Jiawei Zhao
• [QE-users] Carbon quantm dots   Elio Physics
• [QE-users] Carbon quantm dots enquiry   Elio Physics
• [QE-users] Error in DFT+U calculations with ultrasoft pseudopotentials   Yusuke KONISHI
  • [QE-users] Error in DFT+U calculations with ultrasoft pseudopotentials   Paolo Giannozzi
  • [QE-users] Error in DFT+U calculations with ultrasoft pseudopotentials   Iurii TIMROV
    • [QE-users] Error in DFT+U calculations with ultrasoft pseudopotentials   Yusuke KONISHI
• [QE-users] One year fellowship on simulation of Materials   Mauro Sgroi
• [QE-users] Band convergence in epsilon.x calculation   Rituparna Hazarika
• [QE-users] Case study: KPOINT and band parallelization in Quantum ESPRESSO   pranav kumar
  • [QE-users] Case study: KPOINT and band parallelization in Quantum ESPRESSO   Paolo Giannozzi
• [QE-users] QE installation error   Birkan Emrem
  • [QE-users] QE installation error   Paolo Giannozzi
• [QE-users] Error in electron phonon calculation   Mayuri Bora
• [QE-users] QE v.6.8 installation on M1 mac   Viejay Ordillo
  • [QE-users] QE v.6.8 installation on M1 mac   Paolo Giannozzi
  • [QE-users] QE v.6.8 installation on M1 mac   Ye Luo
    • [QE-users] QE v.6.8 installation on M1 mac   Ye Luo
      • [QE-users] QE v.6.8 installation on M1 mac   Viejay Ordillo
      • [QE-users] QE v.6.8 installation on M1 mac   Paolo Giannozzi
      • [QE-users] QE v.6.8 installation on M1 mac   Ye Luo
• [QE-users] Eigenvectors exchange needed 13 19: message in phonon output.   Pooja Vyas
• [QE-users] Infinity values in epsi and epsr files   Olga Sedelnikova
  • [QE-users] Infinity values in epsi and epsr files   Lorenzo Paulatto
  • [QE-users] Infinity values in epsi and epsr files   Olga Sedelnikova
    • [QE-users] Infinity values in epsi and epsr files   Paolo Giannozzi
    • [QE-users] Infinity values in epsi and epsr files   Lorenzo Paulatto
• [QE-users] Problem with QE 6.8 and libxc (rvv10-scan)   Christoph Wolf
  • [QE-users] Problem with QE 6.8 and libxc (rvv10-scan)   Fabrizio Ferrari
  • [QE-users] Problem with QE 6.8 and libxc (rvv10-scan)   Christoph Wolf
    • [QE-users] Problem with QE 6.8 and libxc (rvv10-scan)   Fabrizio Ferrari
      • [QE-users] Problem with QE 6.8 and libxc (rvv10-scan)   Fabrizio Ferrari
• [QE-users] Unoccupied molecular orbitals near the vacuum level.   Steven Best
  • [QE-users] Unoccupied molecular orbitals near the vacuum level.   Lorenzo Paulatto
    • [QE-users] Unoccupied molecular orbitals near the vacuum level.   Steven Best
• [QE-users] Carbon quantum dots treatment   Elio Physics
  • [QE-users] QE automatically converge centered cell to primitive ?   Michal Husak
    • [QE-users] QE automatically converge centered cell to primitive ?   Paolo Giannozzi
      • [QE-users] QE automatically converge centered cell to primitive ?   Paolo Giannozzi
      • [QE-users] QE automatically converge centered cell to primitive ?   Husak Michal
      • [QE-users] QE automatically converge centered cell to primitive ?   Husak Michal
      • [QE-users] QE automatically converge centered cell to primitive ?   Paolo Giannozzi
• [QE-users] Compiling quantum espresso 7.0 with oneapi   LEUNG Clarence
  • [QE-users] Compiling quantum espresso 7.0 with oneapi   Paolo Giannozzi
    • [QE-users] Compiling quantum espresso 7.0 with oneapi   LEUNG Clarence
• [QE-users] Quantum ESPRESSO v.7.0   Paolo Giannozzi
• [QE-users] installing error in QE7.0   venky ch
  • [QE-users] installing error in QE7.0   pdelugas at sissa.it
    • [QE-users] installing error in QE7.0   venky ch
      • [QE-users] installing error in QE7.0   Hongyi Zhao
      • [QE-users] installing error in QE7.0   Hongyi Zhao
  • [QE-users] installing error in QE7.0   Paolo Giannozzi
    • [QE-users] installing error in QE7.0   venky ch
• [QE-users] Enhance on the `install/install_utils' script.   Hongyi Zhao
• [QE-users] Failed to compile want and yambo from within the locally cloned Quantum-ESPRESSO gitlab repository.   Hongyi Zhao
• [QE-users] Physics material science   Savita Grewal
• [QE-users] erro in epw calculation   王绍菲
• [QE-users] Difference in Fermi energy by increasing k-points   José Xavier
  • [QE-users] Difference in Fermi energy by increasing k-points   Kazume NISHIDATE
    • [QE-users] Assunto: Re: Difference in Fermi energy by increasing k-points   José Xavier
      • [QE-users] Assunto: Re: Difference in Fermi energy by increasing k-points   Kazume NISHIDATE
      • [QE-users] Assunto: Re: Difference in Fermi energy by increasing k-points   Hongyi Zhao
• [QE-users] average.x input file   Mohammadreza Hosseini
  • [QE-users] average.x input file   Kazume NISHIDATE
• [QE-users] Bug in GPU acceleration of QE7.0   LEUNG Clarence
  • [QE-users] Bug in GPU acceleration of QE7.0   Filippo Spiga
• [QE-users] Merry Christmas and Happy New Year   Mahmoud Payami Shabestari
• [QE-users] Constrained calculation   Mahmoud Payami Shabestari
  • [QE-users] Constrained calculation   Marzari Nicola
  • [QE-users] Constrained calculation   Paolo Giannozzi
    • [QE-users] Constrained calculation   Mahmoud Payami Shabestari
• [QE-users] open_grid.x error   saramoh at tezu.ernet.in
• [QE-users] No convergence in Constrained occupation   陶志国
• [QE-users] VC-RELAX output file does not show intended results for spin-based calculation   Tarik
• [QE-users] spin transfer torque   Sohail Ahmad

Last message date: Fri Dec 31 22:47:07 CET 2021
Archived on: Fri Dec 31 22:47:24 CET 2021

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