June 2022 Archives by thread

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Starting: Wed Jun 1 06:58:49 CEST 2022
Ending: Thu Jun 30 22:00:14 CEST 2022
Messages: 87

• [QE-users] Tracing the convergence of stress   Mahmoud Payami Shabestari
  • [QE-users] Correction to my last post: Tracing the convergence of stress   Mahmoud Payami Shabestari
• [QE-users] electron-phonon coupling   Cong Liu
• [QE-users] A question on the ph.x q_in_band_form setup   Yang Liu
• [QE-users] PBEsol PP for transition atom   Amar Singh
• [QE-users] raman with phcg   Aleksandra Oranskaia
  • [QE-users] raman with phcg   Paolo Giannozzi
  • [QE-users] raman with phcg   Aleksandra Oranskaia
    • [QE-users] raman with phcg   Paolo Giannozzi
      • [QE-users] raman with phcg   Aleksandra Oranskaia
      • [QE-users] raman with phcg   Paolo Giannozzi
• [QE-users] problems with DFT+U+V (No atom equivalent to r2 error)   Corina Urdaniz
  • [QE-users] problems with DFT+U+V (No atom equivalent to r2 error)   Iurii TIMROV
    • [QE-users] problems with DFT+U+V (No atom equivalent to r2 error)   Corina Urdaniz
      • [QE-users] problems with DFT+U+V (No atom equivalent to r2 error)   Pietro Davide Delugas
      • [QE-users] problems with DFT+U+V (No atom equivalent to r2 error)   Corina Urdaniz
• [QE-users] DFT + U Occupation Matrix Control (OMC)   Nabeel Anwar
  • [QE-users] DFT + U Occupation Matrix Control (OMC)   Ponet Louis Maurice
    • [QE-users] DFT + U Occupation Matrix Control (OMC)   Nabeel Anwar
• [QE-users] calculation of the absorption spectra: control of the polarization   Sabrine Ayari
• [QE-users] Calculation of the absorption spectra for circularly polarized light   Sabrine Ayari
• [QE-users] Phonon Dispersion of SrTiO3, EuTiO3 using Hubbard   simon rombauer
  • [QE-users] Phonon Dispersion of SrTiO3, EuTiO3 using Hubbard   Paolo Giannozzi
    • [QE-users] Phonon Dispersion of SrTiO3, EuTiO3 using Hubbard   simon rombauer
• [QE-users] vc-relax   khouini_f at znu.ac.ir
• [QE-users] path length in neb   Aleksandra Oranskaia
• [QE-users] [Webinar] Machine learning interatomic potentials for modeling radiation damage   Minkyu Park
• [QE-users] Error in installation of Environ module   Anson Thomas
  • [QE-users] [EXT] Error in installation of Environ module   Andreussi, Oliviero
    • [QE-users] [EXT] Error in installation of Environ module   Anson Thomas
      • [QE-users] [EXT] Error in installation of Environ module   Paolo Giannozzi
• [QE-users] Scripted use of kpoints.x   Blair, Erik
  • [QE-users] Scripted use of kpoints.x   Paolo Giannozzi
• [QE-users] Error in q2r.x with nosym, noinv=.true.   Connor Wilson
• [QE-users] Stress values from vc-relax and scf are different, but why?   杨腾
  • [QE-users] Stress values from vc-relax and scf are different, but why?   Hsin-Yu Ko
  • [QE-users] Stress values from vc-relax and scf are different, but why?   Bidault, Xavier
    • [QE-users] Stress values from vc-relax and scf are different, but why?   杨腾
• [QE-users] A question regarding s8 in the dft-d3 code   Vahid Askarpour
• [QE-users] Missing subroutine in QE-7.0/dft-d3 folder   Vahid Askarpour
  • [QE-users] Missing subroutine in QE-7.0/dft-d3 folder   Paolo Giannozzi
    • [QE-users] Missing subroutine in QE-7.0/dft-d3 folder   Vahid Askarpour
• [QE-users] [SPAM] U correction for V in VSe2   Sergey Lisenkov
• [QE-users] How to choose fnosep   杨庆
• [QE-users] Polarization calculation using nscf   Amar Singh
  • [QE-users] Polarization calculation using nscf   Paolo Giannozzi
    • [QE-users] Polarization calculation using nscf   Paolo Giannozzi
  • [QE-users] Polarization calculation using nscf   Amar Singh
    • [QE-users] Polarization calculation using nscf   Lucian D. Filip
    • [QE-users] Polarization calculation using nscf   Amar Singh
      • [QE-users] Polarization calculation using nscf   Lucian D. Filip
• [QE-users] Possible problems of using "memory = 'small'"   Lenz Fiedler
  • [QE-users] Possible problems of using "memory = 'small'"   Paolo Giannozzi
    • [QE-users] Possible problems of using "memory = 'small'"   Lenz Fiedler
• [QE-users] Fermi energy and position of dirac point in 2D electronic band structure   Steven Best
  • [QE-users] Fermi energy and position of dirac point in 2D electronic band structure   Lorenzo Paulatto
    • [QE-users] Fermi energy and position of dirac point in 2D electronic band structure   Steven Best
• [QE-users] Error in virtual_v2.x   pokhriyalamit at rrcat.gov.in
• [QE-users] CPMD CALCULATION   SURAJIT GUIN
• [QE-users] Phonons on Pt(111) electrode   Tom Demeyere
• [QE-users] problem in running lambda.x for the calculation of Tc   Soumendra Kumar Das
  • [QE-users] problem in running lambda.x for the calculation of Tc   Soumendra Kumar Das
• [QE-users] vdW not implemented for nspin > 1 in QE 6.5   EMANUEL ALBERTO MARTINEZ
  • [QE-users] vdW not implemented for nspin > 1 in QE 6.5   Kazume NISHIDATE
    • [QE-users] vdW not implemented for nspin > 1 in QE 6.5   EMANUEL ALBERTO MARTINEZ
      • [QE-users] [SPAM] Re: vdW not implemented for nspin > 1 in QE 6.5   Sergey Lisenkov
      • [QE-users] vdW not implemented for nspin > 1 in QE 6.5   Giuseppe Mattioli
      • [QE-users] vdW not implemented for nspin > 1 in QE 6.5   Nicola Marzari
      • [QE-users] vdW not implemented for nspin > 1 in QE 6.5   EMANUEL ALBERTO MARTINEZ
• [QE-users] Tc calculation in QE   Soumendra Kumar Das
  • [QE-users] Tc calculation in QE   Lorenzo Paulatto
• [QE-users] QE-7.1 and DFT+U   Mahmoud Payami Shabestari
  • [QE-users] QE-7.1 and DFT+U   Iurii TIMROV
    • [QE-users] QE-7.1 and DFT+U   Paolo Giannozzi
      • [QE-users] QE-7.1 and DFT+U   Mahmoud Payami Shabestari
    • [QE-users] QE-7.1 and DFT+U   Mahmoud Payami Shabestari
      • [QE-users] QE-7.1 and DFT+U   Iurii TIMROV
      • [QE-users] QE-7.1 and DFT+U   Mahmoud Payami Shabestari
      • [QE-users] QE-7.1 and DFT+U   Iurii TIMROV
      • [QE-users] QE-7.1 and DFT+U   Mahmoud Payami Shabestari
      • [QE-users] QE-7.1 and DFT+U   Iurii TIMROV
      • [QE-users] QE-7.1 and DFT+U   Mahmoud Payami Shabestari
• [QE-users] how to download latest QE version?   Lucian D. Filip
  • [QE-users] how to download latest QE version?   Hsin-Yu Ko
    • [QE-users] how to download latest QE version?   Stefano Baroni
• [QE-users] MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD with errorcode 103.   sui xiong tay
  • [QE-users] MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD with errorcode 103.   Lorenzo Paulatto

Last message date: Thu Jun 30 22:00:14 CEST 2022
Archived on: Thu Jun 30 22:01:16 CEST 2022

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