March 2026 Archives by thread

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Starting: Fri Mar 6 08:55:22 CET 2026
Ending: Tue Mar 31 05:53:48 CEST 2026
Messages: 45

• [QE-users]  Löwdin charge analysis   Ms. Chandrika K.
• [QE-users] PBE0 Pseudopotentials for Se   Cameron Mills
  • [QE-users] PBE0 Pseudopotentials for Se   Davide Ceresoli
• [QE-users] help for pdos calculation for SOC   A.K.Md.Farid ul Islam
  • [QE-users] help for pdos calculation for SOC   Giovanni Cantele
• [QE-users] Convergence Issue While running elastic constant using thermo_pw   Narayanan Namboodiri P
• [QE-users] symmetrization of charge density (pw)   Roland Winkler
  • [QE-users] symmetrization of charge density (pw)   Pietro Davide Delugas
    • [QE-users] symmetrization of charge density (pw)   Roland Winkler
      • [QE-users] symmetrization of charge density (pw)   Roland Winkler
      • [QE-users] symmetrization of charge density (pw)   Stefano de Gironcoli
      • [QE-users] symmetrization of charge density (pw)   Roland Winkler
  • [QE-users] symmetrization of charge density (pw)   Paolo Giannozzi
    • [QE-users] symmetrization of charge density (pw)   Roland Winkler
      • [QE-users] symmetrization of charge density (pw)   Paolo Giannozzi
      • [QE-users] symmetrization of charge density (pw)   Roland Winkler
      • [QE-users] symmetrization of charge density (pw)   Roland Winkler
• [QE-users] Issue for convergence in ibrav = 6   Narayanan Namboodiri P
  • [QE-users] Issue for convergence in ibrav = 6   Paolo Giannozzi
  • [QE-users] Issue for convergence in ibrav = 6   Giovanni Cantele
  • [QE-users] Issue for convergence in ibrav = 6   Lorenzo Paulatto
    • [QE-users] Issue for convergence in ibrav = 6   Narayanan Namboodiri P
• [QE-users] Undergraduate CECAM Summer School on Molecular Dynamics for Materials Science, Nanotechnology, and Biophysics, June 22 - July 3, SISSA (Trieste, Italy)   Antimo Marrazzo
• [QE-users] Calculating spin-orbit matrix elements?   Lorenzo Sponza
  • [QE-users] [EXT] Calculating spin-orbit matrix elements?   Lukas Cvitkovich
    • [QE-users] [EXT] Calculating spin-orbit matrix elements?   Stefano Baroni
      • [QE-users] [EXT] Re: Calculating spin-orbit matrix elements?   Lukas Cvitkovich
      • [QE-users] [EXT] Re: Calculating spin-orbit matrix elements?   Paolo Giannozzi
• [QE-users] (no subject)   LL
• [QE-users] Help to reproduce Topological Insulator properties of Bi2Se3 using QE   A.K.Md.Farid ul Islam
• [QE-users] Question on excess electron localization and structural rearrangement in PEDOT:PSS   施潇虎
• [QE-users] join Quantum ESPRESSO developer team in Trieste   Stefano de Gironcoli
• [QE-users] Including Spin-orbit coupling only in selected atoms   Lorenzo Sponza
  • [QE-users] Including Spin-orbit coupling only in selected atoms   Giovanni Cantele
• [QE-users] Extra states in conduction band and PDOS/Total DOS mismatch in strained hBN unit cell   Ms. Chandrika K.
  • [QE-users] Extra states in conduction band and PDOS/Total DOS mismatch in strained hBN unit cell   Giovanni Cantele
    • [QE-users] Extra states in conduction band and PDOS/Total DOS mismatch in strained hBN unit cell   Ms. Chandrika K.
      • [QE-users] Extra states in conduction band and PDOS/Total DOS mismatch in strained hBN unit cell   Giovanni Cantele
• [QE-users] [Orbital Angular Momentum]   박기명
• [QE-users] Error in the phase diagram for metallic material   Gulshan Kumar
• [QE-users] SCF calculation fails with SIGSEGV in Quantum ESPRESSO 7.5   Ishiyama,Takahisa_石山 貴久
  • [QE-users] SCF calculation fails with SIGSEGV in Quantum ESPRESSO 7.5   Paolo Giannozzi
    • [QE-users] SCF calculation fails with SIGSEGV in Quantum ESPRESSO 7.5   Ishiyama,Takahisa_石山 貴久
• [QE-users] EPW compilation error in QE 7.5   Jibiao Li
• [QE-users] Local and non-local part of pseudopotential   KRISHNENDU MUKHERJEE

Last message date: Tue Mar 31 05:53:48 CEST 2026
Archived on: Tue Mar 31 05:54:29 CEST 2026

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