December 2024 Archives by thread

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Starting: Mon Dec 2 07:13:27 CET 2024
Ending: Tue Dec 31 02:31:39 CET 2024
Messages: 65

• [QE-users] Issue with ACE potentail in XAS calculation using hse functional   Ishiyama,Takahisa_石山 貴久
  • [QE-users] Issue with ACE potentail in XAS calculation using hse functional   Paolo Giannozzi
    • [QE-users] Issue with ACE potentail in XAS calculation using hse functional   Ishiyama,Takahisa_石山 貴久
      • [QE-users] Issue with ACE potentail in XAS calculation using hse functional   Paolo Giannozzi
      • [QE-users] Issue with ACE potentail in XAS calculation using hse functional   Ishiyama,Takahisa_石山 貴久
• [QE-users] How to specified the occupancies for all bands and K points?   jgsi at foxmail.com
  • [QE-users] How to specified the occupancies for all bands and K points?   Paolo Giannozzi
• [QE-users] strange error in ESM calculation   Lucian D. Filip
  • [QE-users] strange error in ESM calculation   Paolo Giannozzi
• [QE-users] Compilation of qe-7.3.1 with oneAPI 2025   ALFONSO GALLO BUENO
  • [QE-users] Compilation of qe-7.3.1 with oneAPI 2025   Paolo Giannozzi
• [QE-users] Detecting all symmetry operations in AFM systems   DIRK, PAUL
• [QE-users] List of libxc functionals and their IDs   Akhil g.nair
  • [QE-users] List of libxc functionals and their IDs   Paolo Giannozzi
• [QE-users] Finite Size Corrections and Potential Alignment   Dipta Suryya Mahanta
  • [QE-users] Finite Size Corrections and Potential Alignment   Nicola Marzari
• [QE-users] Relax calculation with meta-gga r2SCAN+rVV10   Michele Re Fiorentin
  • [QE-users] Relax calculation with meta-gga r2SCAN+rVV10   Claudio Antonio Perottoni
• [QE-users] Issue with Quantum ESPRESSO Home Page​​​​​​​   wenusaras at uom.lk
  • [QE-users] Issue with Quantum ESPRESSO Home Page​​​​​​​   Pietro Davide Delugas
• [QE-users] Excitation energies without osciallator strengths   Erik.Schultheis at dlr.de
  • [QE-users] Excitation energies without osciallator strengths   Timrov Iurii
• [QE-users] Bad dos data   Microsoft.com team
  • [QE-users] Bad dos data   Pietro Davide Delugas
• [QE-users] phonon problem   2400169 at stu.neu.edu.cn
  • [QE-users] phonon problem   Kazume NISHIDATE
    • [QE-users] phonon problem   Stefano Baroni
• [QE-users] 2D Band structure calculation attempt   Saim Egemen YÜCEL
  • [QE-users] 2D Band structure calculation attempt   Simon Imanuel Rombauer
    • [QE-users] [DKIM Failure] Re: 2D Band structure calculation attempt   Saim Egemen YÜCEL
• [QE-users] Atoms crossing boundary of cell during relaxation   Suraj P
  • [QE-users] Atoms crossing boundary of cell during relaxation   Giovanni Cantele
• [QE-users] ph problem   2400169 at stu.neu.edu.cn
• [QE-users] 2D Semiconductor GeSe band structure calculation issues.   Saim Egemen YÜCEL
  • [QE-users] 2D Semiconductor GeSe band structure calculation issues.   jmasnaghetti
  • [QE-users] 2D Semiconductor GeSe band structure calculation issues.   Giovanni Cantele
• [QE-users] Compilation error with QE-7.3.1+hdf5   Vahid Askarpour
  • [QE-users] Compilation error with QE-7.3.1+hdf5   Mpayami
    • [QE-users] Compilation error with QE-7.3.1+hdf5   Paolo Giannozzi
      • [QE-users] Compilation error with QE-7.3.1+hdf5   Vahid Askarpour
      • [QE-users] Compilation error with QE-7.3.1+hdf5   Mpayami
  • [QE-users] Compilation error with QE-7.3.1+hdf5   Pietro Davide Delugas
• [QE-users] What is the difference between ILDOS and |psi|^2?   toshi1higu at docomo.ne.jp
  • [QE-users] What is the difference between ILDOS and |psi|^2?   Stefano Baroni
    • [QE-users] What is the difference between ILDOS and |psi|^2?   toshi1higu at docomo.ne.jp
      • [QE-users] What is the difference between ILDOS and |psi|^2?   Stefano de Gironcoli
      • [QE-users] What is the difference between ILDOS and |psi|^2?   toshi1higu at docomo.ne.jp
      • [QE-users] What is the difference between ILDOS and |psi|^2?   Stefano de Gironcoli
      • [QE-users] What is the difference between ILDOS and |psi|^2?   toshi1higu at docomo.ne.jp
      • [QE-users] What is the difference between ILDOS and |psi|^2?   toshi1higu at docomo.ne.jp
• [QE-users] pw.x input - symmetry data, ibrav   Fnukal Frantisek
• [QE-users] Issue with Elastic Property Calculation of Antiferromagnetic NiO in Quantum ESPRESSO using thermo_pw   NAIMI SALMA
• [QE-users] Verification of Statements Regarding Quantum ESPRESSO and Wannier90   wenusaras
  • [QE-users] Verification of Statements Regarding Quantum ESPRESSO and Wannier90   Antimo Marrazzo
• [QE-users] Adsorption calculation using Quantum ESPRESSO   Akhil g.nair
• [QE-users] About bands.x error   이건우
  • [QE-users] About bands.x error   Chiara Cignarella
• [QE-users] Heterostructure -different crystal symmetry/lattice type   Ms. Chandrika K.
• [QE-users] [starting_magnetization]   박기명
  • [QE-users] [starting_magnetization]   Paolo Giannozzi
    • [QE-users] [starting_magnetization]   박기명
• [QE-users] [Spin direction]   박기명
• [QE-users] vc-relax-Atomic wfc used for LDA+U Projector are NOT orthogonalized   李孝红
  • [QE-users] vc-relax-Atomic wfc used for LDA+U Projector are NOT orthogonalized   Paolo Giannozzi
    • [QE-users] vc-relax-Atomic wfc used for LDA+U Projector are NOT orthogonalized   李孝红

Last message date: Tue Dec 31 02:31:39 CET 2024
Archived on: Tue Dec 31 02:28:11 CET 2024

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