April 2023 Archives by thread

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Starting: Sat Apr 1 18:25:03 CEST 2023
Ending: Fri Apr 28 13:18:12 CEST 2023
Messages: 78

• [QE-users] [SPAM] Calculate optical properties with Ultrasoft PPs   José Xavier
  • [QE-users] [SPAM] Calculate optical properties with Ultrasoft PPs   Iurii TIMROV
• [QE-users] Coordinates of LDOS evaluation   Brzoza, Bartosz
• [QE-users] info about eigenvectors with matdyn   patrizio.graziosi at cnr.it
• [QE-users] About CI-NEB job and how to go on after that   Tom Demeyere
• [QE-users] Confidential email from lplokijuhygt   lplokijuhygt at tutanota.com
• [QE-users] Problems with scf calculation in qe 7.1 and 7.2   lplokijuhygt at tutanota.com
  • [QE-users] Problems with scf calculation in qe 7.1 and 7.2   Paolo Giannozzi
    • [QE-users] Problems with scf calculation in qe 7.1 and 7.2   lplokijuhygt at tutanota.com
• [QE-users] Phonon dispersion plot with ASR tag 'simple' and 'crystal'   Zimmi Singh
• [QE-users] Phonon calculations   BOUAFIA HAMZA
  • [QE-users] Phonon calculations   Lorenzo Paulatto
    • [QE-users] RE : Phonon calculations   BOUAFIA HAMZA
• [QE-users] Hydrogen atom pseudopotential files with q=1.25e and q=0.75e (PBE, USPP)   GOKHAN HASEKI
  • [QE-users] R: Hydrogen atom pseudopotential files with q=1.25e and q=0.75e (PBE, USPP)   Pietro Davide Delugas
• [QE-users] davcio error in phonon restart   zhouchao
• [QE-users] About the calculation of dielectric function by using QE package   PURINUT SAE-FU
  • [QE-users] About the calculation of dielectric function by using QE package   Simon Imanuel Rombauer
    • [QE-users] [Spam:]Re: About the calculation of dielectric function by using QE package   Lorenzo Paulatto
    • [QE-users] About the calculation of dielectric function by using QE package   PURINUT SAE-FU
  • [QE-users] About the calculation of dielectric function by using QE package   Lorenzo Bastonero
    • [QE-users] About the calculation of dielectric function by using QE package   PURINUT SAE-FU
• [QE-users] Query regarding ecutfock   Arini Kar
  • [QE-users] Query regarding ecutfock   Lorenzo Bastonero
    • [QE-users] Query regarding ecutfock   Arini Kar
      • [QE-users] Query regarding ecutfock   Lorenzo Bastonero
• [QE-users] Fwd: error in routine check atoms(1)   SPPU/05097P/2021 OYOMO BILL C
  • [QE-users] R: Fwd: error in routine check atoms(1)   Pietro Davide Delugas
• [QE-users] NVT variable cell dynamics - protocol and issues   Manuel Pérez Escribano
• [QE-users] QE-7.1 and ELPA version   Alireza Ghasemi
  • [QE-users] QE-7.1 and ELPA version   Paolo Giannozzi
    • [QE-users] QE-7.1 and ELPA version   Alireza Ghasemi
      • [QE-users] QE-7.1 and ELPA version   Paolo Giannozzi
• [QE-users] PBE0 hybrid functional calculation: Error in routine vcut_init (1): non-orthorombic case untested   jiale shen
  • [QE-users] PBE0 hybrid functional calculation: Error in routine vcut_init (1): non-orthorombic case untested   Paolo Giannozzi
• [QE-users] Hubbard Parameters Calculation   Victor Odari
  • [QE-users] Hubbard Parameters Calculation   Iurii TIMROV
    • [QE-users] Hubbard Parameters Calculation   Victor Odari
• [QE-users] Band.x error   anandkj21 at iitk.ac.in
• [QE-users] Finding the optimal parallelization parameters   Léon Luntadila Lufungula
• [QE-users] Effective mass and the unit of k   Ramesh Kumar Kamadurai
  • [QE-users] 回复: Effective mass and the unit of k   jiale shen
• [QE-users] pw.x job stops before scf cycle   fabrizio.silveri at gemmate-technologies.com
• [QE-users] Lowdin charges - how to interpret?   Xavier Xavier
• [QE-users] [Webinar] “AI-driven search for functional materials: symbolic inference in catalysis”   Dr.Mosab Banisalman
• [QE-users] QE-GPU and libxc compile error   Michele Re Fiorentin
  • [QE-users] QE-GPU and libxc compile error   Lorenzo Bastonero
    • [QE-users] QE-GPU and libxc compile error   Michele Re Fiorentin
      • [QE-users] QE-GPU and libxc compile error   Fabrizio Ferrari Ruffino
• [QE-users] Advanced Quantum ESPRESSO school: Hubbard and Koopmans functionals from linear response   Iurii TIMROV
• [QE-users] [SPAM] Dielectric function and absorption with Lanczos   José Xavier
  • [QE-users] [SPAM] Dielectric function and absorption with Lanczos   Iurii TIMROV
• [QE-users] Fail to download pseudopotential for test-suite on Mac.   張瀚文
  • [QE-users] Fail to download pseudopotential for test-suite on Mac.   Husak Michal
    • [QE-users] Fail to download pseudopotential for test-suite on Mac.   Han-wen, Chang
• [QE-users] divergence of chi in HP code   Mpayami
  • [QE-users] divergence of chi in HP code   Mpayami
• [QE-users] Convergence problems of NMC85% (LiNi_{0.85}Mn_{0.1}Co_{0.05}O_{2})   Marcelo Albuquerque
  • [QE-users] Convergence problems of NMC85% (LiNi_{0.85}Mn_{0.1}Co_{0.05}O_{2})   pboulet
• [QE-users] [SPAM] Re: Dielectric function and absorption with Lanczos   José Xavier
  • [QE-users] Dielectric function and absorption with Lanczos   Iurii TIMROV
    • [QE-users] Dielectric function and absorption with Lanczos   José Xavier
• [QE-users] Graphene - Relativistic Calculations - Getting Generic Error   Matthew Trippy
  • [QE-users] Graphene - Relativistic Calculations - Getting Generic Error   Paolo Giannozzi
• [QE-users] how to assign occupations of every k-point in quantum espresso   时若晨
• [QE-users] NEB: Atoms do not get relaxed   Ari P Seitsonen
  • [QE-users] NEB: Atoms do not get relaxed   Giuseppe Mattioli
    • [QE-users] NEB: Atoms do not get relaxed   Ari P Seitsonen
      • [QE-users] NEB: Atoms do not get relaxed   Ari P Seitsonen
      • [QE-users] NEB: Atoms do not get relaxed   Giuseppe Mattioli
• [QE-users] Parallelization nscf calculation   Francesco Delodovici
  • [QE-users] Parallelization nscf calculation   Paolo Giannozzi
• [QE-users] BEEF: ensemble_energies keyword not recognised?   Tom Demeyere
  • [QE-users] BEEF: ensemble_energies keyword not recognised?   Paolo Giannozzi
• [QE-users] onvert SDF file to xxx.scf.in   tomohisa.ogawa at tel.com
• [QE-users] QE 7.2: performance degradation for isolated systems?   Tom Demeyere
  • [QE-users] QE 7.2: performance degradation for isolated systems?   Paolo Giannozzi
    • [QE-users] QE 7.2: performance degradation for isolated systems?   Tom Demeyere

Last message date: Fri Apr 28 13:18:12 CEST 2023
Archived on: Fri Apr 28 13:18:25 CEST 2023

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