January 2025 Archives by thread

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Starting: Wed Jan 1 02:09:22 CET 2025
Ending: Thu Jan 30 14:44:57 CET 2025
Messages: 62

• [QE-users] Error in Calculating Projected DOS using SCAN   AKHTAR, SAFF E AWAL (PGR)
  • [QE-users] Error in Calculating Projected DOS using SCAN   Paolo Giannozzi
• [QE-users] Why does the output data of plot_num=7 have negative values?   toshi1higu at docomo.ne.jp
• [QE-users] Issues with SCAN functional for molecules   Ivan Dario Arellano Ramirez
  • [QE-users] Issues with SCAN functional for molecules   Fabrizio Ferrari Ruffino
    • [QE-users] Issues with SCAN functional for molecules   Ivan Dario Arellano Ramirez
• [QE-users] Wrong interpretation of atomic number and missing atoms in .cube file generated by pp.x utility   Ankush Bharti
  • [QE-users] Wrong interpretation of atomic number and missing atoms in .cube file generated by pp.x utility   Paolo Giannozzi
• [QE-users] [SPAM] lfcpopt does not work correctly   jibiaoli
  • [QE-users] [SPAM] lfcpopt does not work correctly   Minoru Otani
    • [QE-users] [SPAM] Re: lfcpopt does not work correctly   jibiaoli
• [QE-users] Difference in DOS intensity in QE and Yambo   Zimmi Singh
  • [QE-users] Difference in DOS intensity in QE and Yambo   Paolo Giannozzi
  • [QE-users] Difference in DOS intensity in QE and Yambo   Chang, Xin
    • [QE-users] Difference in DOS intensity in QE and Yambo   Zimmi Singh
      • [QE-users] Difference in DOS intensity in QE and Yambo   Md. Jahid Hasan Sagor
      • [QE-users] Difference in DOS intensity in QE and Yambo   Giovanni Cantele
• [QE-users] The pressure is negative and has not converged   李孝红
• [QE-users] [nscf calculation after restart_mode]   박기명
  • [QE-users] [nscf calculation after restart_mode]   박기명
• [QE-users] users Digest, Vol 210, Issue 8   Tse, John
  • [QE-users] users Digest, Vol 210, Issue 8   Stefano Baroni
• [QE-users] bfg cycle is stuck   Taswar Iqbal
• [QE-users] Pseudopotential for SCAN functional   Xin Zhong
• [QE-users] The routines to calculate Hubbard forces are very slow   julien_barbaud at sjtu.edu.cn
  • [QE-users] The routines to calculate Hubbard forces are very slow   Timrov Iurii
• [QE-users] space_group and nbnd in nscf bands calculation   Dr. Sheharyar Pervez Assistant Professor FES
  • [QE-users] space_group and nbnd in nscf bands calculation   Paolo Giannozzi
• [QE-users] Error in routine fill_fs_grid (30):   wangzongyi at mail.ustc.edu.cn
• [QE-users] a problem with spline_ps = true   Magdalena Grochowska
  • [QE-users] a problem with spline_ps = true   Paolo Giannozzi
    • [QE-users] a problem with spline_ps = true   Magdalena Grochowska
      • [QE-users] a problem with spline_ps = true   Paolo Giannozzi
• [QE-users] Error in routine smallgk (1): Not a group   jkmodi22 at iitk.ac.in
  • [QE-users] Error in routine smallgk (1): Not a group   Paolo Giannozzi
• [QE-users] Error when using "restart_mode = 'restart' "   jkmodi22 at iitk.ac.in
  • [QE-users] Error when using "restart_mode = 'restart' "   Paolo Giannozzi
• [QE-users] NaN Energy Issue in Quantum ESPRESSO 7.3.1 with 'twochem = .true.' for SOC Calculations   1548737453
  • [QE-users] NaN Energy Issue in Quantum ESPRESSO 7.3.1 with 'twochem = .true.' for SOC Calculations   Giovanni Marini
• [QE-users] help generating pseudo potentials   Lucian D. Filip
  • [QE-users] help generating pseudo potentials   Lorenzo Paulatto
    • [QE-users] help generating pseudo potentials   Lucian D. Filip
      • [QE-users] help generating pseudo potentials   Paolo Giannozzi
      • [QE-users] help generating pseudo potentials   Lucian D. Filip
• [QE-users] Issue with SCAN and libxc   Sofia Anna SCOZZIERO
  • [QE-users] Issue with SCAN and libxc   Fabrizio Ferrari Ruffino
• [QE-users] Issue with "End of File Reached, Closing Tag Not Found" Error in Quantum ESPRESSO   ASWATHY JAYAPRAKASH
  • [QE-users] Issue with "End of File Reached, Closing Tag Not Found" Error in Quantum ESPRESSO   Paolo Giannozzi
    • [QE-users] Issue with "End of File Reached, Closing Tag Not Found" Error in Quantum ESPRESSO   Paolo Giannozzi
• [QE-users] Issue with "WARNING: bfgs curvature condition failed, Theta= 0.667"   Ning ZHANG
• [QE-users] Assistance with Phonon Dispersion Calculation for Au   Md. Jahid Hasan Sagor
• [QE-users] Incorporation of one atom in a structure   Gulshan Kumar
  • [QE-users] Incorporation of one atom in a structure   Taswar Iqbal
• [QE-users] Error message after JOB DONE   박기명
  • [QE-users] Error message after JOB DONE   Paolo Giannozzi
• [QE-users] Error in bands.x "c_bands: 1 eigenvalues not converged"   jkmodi22 at iitk.ac.in
  • [QE-users] Error in bands.x "c_bands: 1 eigenvalues not converged"   Pietro Davide Delugas
• [QE-users] QE-GPU - cudafor not found   R T Phillips
  • [QE-users] QE-GPU - cudafor not found   Paolo Giannozzi
  • [QE-users] QE-GPU - cudafor not found   Pietro Davide Delugas
    • [QE-users] QE-GPU - cudafor not found   R T Phillips
      • [QE-users] QE-GPU - cudafor not found   Pietro Davide Delugas

Last message date: Thu Jan 30 14:44:57 CET 2025
Archived on: Thu Jan 30 14:40:29 CET 2025

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