May 2023 Archives by thread

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Starting: Mon May 1 13:32:46 CEST 2023
Ending: Wed May 31 19:51:16 CEST 2023
Messages: 111

• [QE-users] Projected band structure using HSE06 hybrid functional   Gusthavo Miranda
• [QE-users] Error in routine open_buffer (2)   Devin Thrush
  • [QE-users] Error in routine open_buffer (2)   Paolo Giannozzi
• [QE-users] Hydrogen atom pseudopotential files with q=1.25e and q=0.75e (PBE, USPP)   GOKHAN HASEKI
• [QE-users] QE7.2 with oneAPI IMPI and MKL+SCALAPACK   Anderson, Sean
  • [QE-users] QE7.2 with oneAPI IMPI and MKL+SCALAPACK   pdelugas at sissa.it
• [QE-users] Regarding upgradation of Quantum-esspresso.   chethanv Research Scholar
  • [QE-users] Regarding upgradation of Quantum-esspresso.   Giuseppe Mattioli
    • [QE-users] Regarding upgradation of Quantum-esspresso.   chethanv Research Scholar
      • [QE-users] Regarding upgradation of Quantum-esspresso.   Giuseppe Mattioli
      • [QE-users] Regarding upgradation of Quantum-esspresso.   chethanv Research Scholar
      • [QE-users] Regarding upgradation of Quantum-esspresso.   Giuseppe Mattioli
• [QE-users] increasing precision of band energies   agaur
  • [QE-users] increasing precision of band energies   Paolo Giannozzi
• [QE-users] Is there any list for DFT+U functions availability?   Kefan Chen
  • [QE-users] Is there any list for DFT+U functions availability?   Iurii TIMROV
• [QE-users] [Pw_forum] EPW Superconductivity   李雪洁
• [QE-users] How to change temperature when doing CPMD ?   Yue Qiang
• [QE-users] "q-mesh breaks symmetry" problème.   Pierre Linères
  • [QE-users] "q-mesh breaks symmetry" problème.   Pietro Davide Delugas
• [QE-users] support for dynmat output   patrizio.graziosi at cnr.it
• [QE-users] Convert pseudo from fhi to upf format   Jibiao Li
  • [QE-users] R: Convert pseudo from fhi to upf format   Pietro Davide Delugas
• [QE-users] Error in routine read_pp_semilocal with FHI converted UPF   Jibiao Li
  • [QE-users] Error in routine read_pp_semilocal with FHI converted UPF   Paolo Giannozzi
    • [QE-users] Error in routine read_pp_semilocal with FHI converted UPF   Paolo Giannozzi
      • [QE-users] Error in routine read_pp_semilocal with FHI converted UPF   Jibiao Li
      • [QE-users] Error in routine read_pp_semilocal with FHI converted UPF   Paolo Giannozzi
  • [QE-users] Error in routine read_pp_semilocal with FHI converted UPF   Paolo Giannozzi
• [QE-users] SCAN pseudopotential files are highly required   Jibiao Li
  • [QE-users] SCAN pseudopotential files are highly required   Holzwarth, Natalie
• [QE-users] Error while calculating STM image and from pp.x   sunilch.cstaff
  • [QE-users] Error while calculating STM image and from pp.x   Paolo Giannozzi
• [QE-users] The phonon code for this Hubbard projectors type is not implemented   Karkee, Rijan
  • [QE-users] The phonon code for this Hubbard projectors type is not implemented   Lorenzo Bastonero
    • [QE-users] [EXTERNAL] Re: The phonon code for this Hubbard projectors type is not implemented   Karkee, Rijan
• [QE-users] The phonon code with Raman and Hubbard U is not implemented   Karkee, Rijan
  • [QE-users] The phonon code with Raman and Hubbard U is not implemented   Lorenzo Bastonero
    • [QE-users] [EXTERNAL] Re: The phonon code with Raman and Hubbard U is not implemented   Karkee, Rijan
      • [QE-users] [EXTERNAL] The phonon code with Raman and Hubbard U is not implemented   Lorenzo Bastonero
      • [QE-users] [EXTERNAL] The phonon code with Raman and Hubbard U is not implemented   Lorenzo Paulatto
      • [QE-users] [EXTERNAL] The phonon code with Raman and Hubbard U is not implemented   Karkee, Rijan
      • [QE-users] [EXTERNAL] The phonon code with Raman and Hubbard U is not implemented   Lorenzo Paulatto
      • [QE-users] [EXTERNAL] The phonon code with Raman and Hubbard U is not implemented   Lorenzo Paulatto
• [QE-users] Scf after relax   Ricardo Cecconello
  • [QE-users] Scf after relax   Giovanni Cantele
• [QE-users] I'M STUCK!! Please Help me!! c_bands: N eigenvalues not converged   Dipta Suryya Mahanta
  • [QE-users] I'M STUCK!! Please Help me!! c_bands: N eigenvalues not converged   Paolo Giannozzi
    • [QE-users] I'M STUCK!! Please Help me!! c_bands: N eigenvalues not converged   Dipta Suryya Mahanta
      • [QE-users] I'M STUCK!! Please Help me!! c_bands: N eigenvalues not converged   Paolo Giannozzi
• [QE-users] TPSS pseudo files for metals are highly required   Jibiao Li
• [QE-users] Why I get the message forces for this U_projection_type not implemented ?   NAIMI SALMA
  • [QE-users] Why I get the message forces for this U_projection_type not implemented ?   Iurii TIMROV
• [QE-users] c_bands: N eigenvalues not converged   Dipta Suryya Mahanta
• [QE-users] What is the correct method to calculate ELF?   Anson Thomas
• [QE-users] pwtk scripting   wenusaras
  • [QE-users] pwtk scripting   Tone Kokalj
    • [QE-users] pwtk scripting   wenusaras
• [QE-users] Optimal Smearing Energy for Electronic Structure Calculations   David Yao ANSI
• [QE-users] the 2D structure wrong wrong total_weight   zhouchao
  • [QE-users] the 2D structure wrong wrong total_weight   Zimmi Singh
• [QE-users] how to achieve quench or annealing using CP package of QE ?   Yue Qiang
• [QE-users] Wavefunction plot in pp.x   David Yao ANSI
• [QE-users] Fat ("projected") phonon dispersion bands with Quantum Espresso?   Nagy Gergely Norbert
• [QE-users] Issues SCAN functional for Cu slab   Michele Giovanni Bianchi
• [QE-users] [SPAM] Doubt about Hands-on QE summer school TD-DFT exercise (day 3)   José Xavier
  • [QE-users] [SPAM] Doubt about Hands-on QE summer school TD-DFT exercise (day 3)   Iurii TIMROV
• [QE-users] problem in parallel exexution of example07 of HP   Mpayami
• [QE-users] QE 6.5 versus QE 7.2   Giovanni Cantele
  • [QE-users] QE 6.5 versus QE 7.2   Paolo Giannozzi
• [QE-users] "Segmentation fault" error in versions 7.2 and 7.1 of QE   Niccolò Damian
  • [QE-users] "Segmentation fault" error in versions 7.2 and 7.1 of QE   Paolo Giannozzi
    • [QE-users] "Segmentation fault" error in versions 7.2 and 7.1 of QE   Niccolò Damian
      • [QE-users] "Segmentation fault" error in versions 7.2 and 7.1 of QE   Paolo Giannozzi
      • [QE-users] "Segmentation fault" error in versions 7.2 and 7.1 of QE   Niccolò Damian
• [QE-users] Error when configuring Quantum Espresso with LibXC   Jing Lian Ng
  • [QE-users] Error when configuring Quantum Espresso with LibXC   Paolo Giannozzi
• [QE-users] [DFT+U] HP code: Noncollinear SOC   Ritwik Das
  • [QE-users] HP code: Noncollinear SOC   Iurii TIMROV
• [QE-users] [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive   Siwakorn Sukharom
  • [QE-users] [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive   Paolo Giannozzi
    • [QE-users] [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive   Siwakorn Sukharom
  • [QE-users] R: [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive   Pietro Davide Delugas
    • [QE-users] R: [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive   Siwakorn Sukharom
      • [QE-users] R: [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive   Paolo Giannozzi
      • [QE-users] R: [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive   Siwakorn Sukharom
      • [QE-users] R: [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive   Paolo Giannozzi
      • [QE-users] R: [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive   Siwakorn Sukharom
      • [QE-users] R: R: [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive   Pietro Davide Delugas
• [QE-users] Deadline for applications is extended for the Advanced Quantum ESPRESSO school: Hubbard and Koopmans functionals from linear response   Iurii TIMROV
• [QE-users] users Digest, Vol 190, Issue 21   Ivan Carnimeo
  • [QE-users] users Digest, Vol 190, Issue 21   Paolo Giannozzi
• [QE-users] no geometry information at the end   dlduran at uco.es
  • [QE-users] no geometry information at the end   Giuseppe Mattioli
    • [QE-users] no geometry information at the end   dlduran at uco.es
      • [QE-users] no geometry information at the end   Paolo Giannozzi
      • [QE-users] no geometry information at the end   Giuseppe Mattioli
• [QE-users] [SPAM] Re: Doubt about Hands-on QE summer school TD-DFT exercise (day 3)   José Xavier
  • [QE-users] Doubt about Hands-on QE summer school TD-DFT exercise (day 3)   Iurii TIMROV
    • [QE-users] [SPAM] Re: Doubt about Hands-on QE summer school TD-DFT exercise (day 3)   José Xavier
      • [QE-users] Doubt about Hands-on QE summer school TD-DFT exercise (day 3)   Iurii TIMROV
      • [QE-users] [SPAM] Re: Doubt about Hands-on QE summer school TD-DFT exercise (day 3)   José Xavier
• [QE-users] How to run QE on limited number of processsors of a single node?   Piotr Szkudlarek
• [QE-users] Electron-phonon - tetra_example - alpha2f.x problem   سيدمحمد صندوقچي
• [QE-users] Regarding Charge density difference   Satyasiban Dash ph19d005
  • [QE-users] Regarding Charge density difference   Giovanni Cantele
    • [QE-users] Regarding Charge density difference   Satyasiban Dash ph19d005
      • [QE-users] Regarding Charge density difference   Giovanni Cantele
      • [QE-users] Regarding Charge density difference   Satyasiban Dash ph19d005
• [QE-users] Ph.x with error message "Error in routine checkallsym (2): not orthogonal operation"   jgsi at foxmail.com
• [QE-users] Linear Dispersion Behavior of Graphene Supercells: Seeking Explanations and Solutions   David Yao ANSI

Last message date: Wed May 31 19:51:16 CEST 2023
Archived on: Fri Jun 2 03:11:15 CEST 2023

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