December 2023 Archives by thread

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Starting: Fri Dec 1 06:23:44 CET 2023
Ending: Sat Dec 30 20:34:53 CET 2023
Messages: 82

• [QE-users] Projected band structure   Mina Hemati
  • [QE-users] Projected band structure   Lorenzo Sponza
• [QE-users] Hp-code treating metals   Mpayami
  • [QE-users] Hp-code treating metals   Mpayami
• [QE-users] calculation on the static dielectric constant   Yu, Jingjing
  • [QE-users] calculation on the static dielectric constant   Stefano Baroni
• [QE-users] Disk space problem: are there ways to instruct QE to NOT print wavefunctions file?   alpin novianus
  • [QE-users] Disk space problem: are there ways to instruct QE to NOT print wavefunctions file?   Lorenzo Paulatto
• [QE-users] Dielectric function calculation using epsilon.x   Ait Lamine, Lahcen
• [QE-users] does the tot_charge tag in pw.x applied during scf calculation carry over to ph.x during phonon calculation?   alpin novianus
• [QE-users] k-resolved pdos   Mina Hemati
  • [QE-users] k-resolved pdos   Lorenzo Sponza
• [QE-users] Thermodynamics with DFT+U   EDUARDO ARIEL MENENDEZ PROUPIN
  • [QE-users] Thermodynamics with DFT+U   Timrov Iurii
    • [QE-users] Thermodynamics with DFT+U   BARRETEAU Cyrille
      • [QE-users] Thermodynamics with DFT+U   Timrov Iurii
• [QE-users] help for "ATOMIC_POSITIONS (crystal_sg)"   Zeli Xu
  • [QE-users] help for "ATOMIC_POSITIONS (crystal_sg)"   Paolo Giannozzi
• [QE-users] hubbard u value of mos2   XI Wenlong
  • [QE-users] hubbard u value of mos2   Timrov Iurii
• [QE-users] NMR of Metallic Systems   Megan Burrill
• [QE-users] Error in routine seqopn after BFGS optimzation   Akhil g.nair
• [QE-users] Plotting wavefunction at k points other than zero   Rameswar Bhattacharjee
• [QE-users] HP-code ERROR for PAW+ortho-atomic   Mpayami
  • [QE-users] HP-code ERROR for PAW+ortho-atomic   Mpayami
• [QE-users] Spatial dependency of the wave functions for the spin-orbit coupling calculation   Alireza Shabani
  • [QE-users] Spatial dependency of the wave functions for the spin-orbit coupling calculation   Giovanni Cantele
    • [QE-users] Spatial dependency of the wave functions for the spin-orbit coupling calculation   Alireza Shabani
      • [QE-users] Spatial dependency of the wave functions for the spin-orbit coupling calculation   Paolo Giannozzi
      • [QE-users] Spatial dependency of the wave functions for the spin-orbit coupling calculation   Alireza Shabani
• [QE-users] Guidance Required for modelling CaCO3   Saiyed Tasnim Md Fahim
  • [QE-users] Guidance Required for modelling CaCO3   Pietro Davide Delugas
  • [QE-users] Guidance Required for modelling CaCO3   Paolo Giannozzi
    • [QE-users] Guidance Required for modelling CaCO3   Saiyed Tasnim Md Fahim
• [QE-users] Error while performing Phonon calculations   Lawan, Mukhtar
  • [QE-users] Error while performing Phonon calculations   Paolo Giannozzi
    • [QE-users] Error while performing Phonon calculations   Lawan, Mukhtar
    • [QE-users] Error while performing Phonon calculations   Lawan, Mukhtar
      • [QE-users] Error while performing Phonon calculations   Paolo Giannozzi
      • [QE-users] Error while performing Phonon calculations   Lawan, Mukhtar
• [QE-users] Error in routine scale_h (1): Not enough space allocated for radial FFT...   Dr. Pabitra Mandal
  • [QE-users] Error in routine scale_h (1): Not enough space allocated for radial FFT...   Pietro Davide Delugas
    • [QE-users] Error in routine scale_h (1): Not enough space allocated for radial FFT...   Dr. Pabitra Mandal
      • [QE-users] Error in routine scale_h (1): Not enough space allocated for radial FFT...   Lorenzo Paulatto
      • [QE-users] Error in routine scale_h (1): Not enough space allocated for radial FFT...   Paolo Giannozzi
• [QE-users] Convergence issue in relaxation calculation - reg   Nithish Sriram MKU-SCHOLAR
  • [QE-users] Convergence issue in relaxation calculation - reg   Jayraj Anadani
    • [QE-users] Convergence issue in relaxation calculation - reg   Nithish Sriram MKU-SCHOLAR
      • [QE-users] Convergence issue in relaxation calculation - reg   Jayraj Anadani
      • [QE-users] Convergence issue in relaxation calculation - reg   Nithish Sriram MKU-SCHOLAR
• [QE-users] libxc needed for this functional - QE bulid with libxc   Husak Michal
  • [QE-users] libxc needed for this functional - QE bulid with libxc   Paolo Giannozzi
    • [QE-users] libxc needed for this functional - QE bulid with libxc   Husak Michal
      • [QE-users] libxc needed for this functional - QE bulid with libxc   Lorenzo Paulatto
    • [QE-users] libxc needed for this functional - QE bulid with libxc   Husak Michal
• [QE-users] the difference bettewn PH and phonopy   Zeli Xu
• [QE-users] Query on relaxation of my monoclinic structure   Nithish Sriram MKU-SCHOLAR
• [QE-users] SCF convergence issue after first ionic step   Laurent Pizzagalli
  • [QE-users] SCF convergence issue after first ionic step   Giovanni Cantele
    • [QE-users] SCF convergence issue after first ionic step   Laurent Pizzagalli
      • [QE-users] SCF convergence issue after first ionic step   Paolo Giannozzi
      • [QE-users] SCF convergence issue after first ionic step   Laurent Pizzagalli
• [QE-users] Fwd: Reagrding md problem in input file   Gulshan Kumar
  • [QE-users] Fwd: Reagrding md problem in input file   Jayraj Anadani
• [QE-users] Convergence issue in spin-polarized SCAN calculation   Jing Lian Ng
  • [QE-users] [SPAM] Convergence issue in spin-polarized SCAN calculation   Husak Michal
    • [QE-users] [SPAM] Convergence issue in spin-polarized SCAN calculation   Nicola Marzari
  • [QE-users] Convergence issue in spin-polarized SCAN calculation   Pietro Davide Delugas
  • [QE-users] Convergence issue in spin-polarized SCAN calculation   Jing Lian Ng
    • [QE-users] Convergence issue in spin-polarized SCAN calculation   Pietro Davide Delugas
    • [QE-users] Convergence issue in spin-polarized SCAN calculation   Jing Lian Ng
• [QE-users] Crystal Structure changes after vc-relax   1806028 - Md. Nure- Alam-Dipu
• [QE-users] DFT-1/2 calculation using QE   Abdul Muhaymin
  • [QE-users] DFT-1/2 calculation using QE   Gusthavo Miranda
    • [QE-users] DFT-1/2 calculation using QE   Simon Imanuel Rombauer
      • [QE-users] DFT-1/2 calculation using QE   Simon Imanuel Rombauer
      • [QE-users] DFT-1/2 calculation using QE   Gusthavo Miranda
• [QE-users] PBE0 convergence issue for SCF calculation   Rameswar Bhattacharjee
• [QE-users] forc conv thr not converging force components?   Adam Michalchuk
• [QE-users] Inquiry Regarding Crystal Structure Discrepancy in Quantum Espresso   houssam eddine hailouf
  • [QE-users] Inquiry Regarding Crystal Structure Discrepancy in Quantum Espresso   Giovanni Cantele
  • [QE-users] Inquiry Regarding Crystal Structure Discrepancy in Quantum Espresso   Giovanni Cantele

Last message date: Sat Dec 30 20:34:53 CET 2023
Archived on: Sat Dec 30 20:34:55 CET 2023

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