May 2025 Archives by thread

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Starting: Thu May 1 11:34:59 CEST 2025
Ending: Sat May 31 10:23:58 CEST 2025
Messages: 83

• [QE-users] unit mismatch between PH generated frequencies and manually generated eigenvalues   Shubham Patel
  • [QE-users] unit mismatch between PH generated frequencies and manually generated eigenvalues   Giovanni Cantele
    • [QE-users] unit mismatch between PH generated frequencies and manually generated eigenvalues   Shubham Patel
• [QE-users] QE-GPU   Fabrizio Ferrari Ruffino
• [QE-users] Query Regarding Unusual Output in projwfc.x Projected Band Structure   kaenat.hamidi at ut.ac.ir
  • [QE-users] Query Regarding Unusual Output in projwfc.x Projected Band Structure   Paolo Giannozzi
• [QE-users] DFT+U+V neighbour allocation extremely slow and not parallelized   julien_barbaud at sjtu.edu.cn
  • [QE-users] DFT+U+V neighbour allocation extremely slow and not parallelized   Timrov Iurii
• [QE-users] Format of the interatomic force constant .fc file   Chirantan Pramanik
  • [QE-users] Format of the interatomic force constant .fc file   Lorenzo Paulatto
    • [QE-users] Format of the interatomic force constant .fc file   Chirantan Pramanik
      • [QE-users] Format of the interatomic force constant .fc file   Lorenzo Paulatto
• [QE-users] (no subject)   fatemeh mahmudi
  • [QE-users] (no subject)   fatemeh mahmudi
  • [QE-users] (no subject)   fatemeh mahmudi
    • [QE-users] (no subject)   Giovanni Cantele
    • [QE-users] (no subject)   mahmudi.ft at fs.lu.ac.ir
      • [QE-users] (no subject)   Giovanni Cantele
  • [QE-users] (no subject)   fatemeh mahmudi
• [QE-users] SCF Convergence Nosym   Ian Dunn
  • [QE-users] SCF Convergence Nosym   Giovanni Cantele
• [QE-users] VC_relax calculation   fatemeh mahmudi
  • [QE-users] VC_relax calculation   Giovanni Cantele
• [QE-users] Test-suite failures with parallel QE   Ian Dunn
  • [QE-users] Test-suite failures with parallel QE   Paolo Giannozzi
• [QE-users] The long time takes in calculation of Computing stress and pressure during vc-relax   Zhao Yi-Feng
  • [QE-users] The long time takes in calculation of Computing stress and pressure during vc-relax   Timrov Iurii
• [QE-users] Which matrix the 'fildvscf' tag will calcualte?   半城烟沙
  • [QE-users] Which matrix the 'fildvscf' tag will calcualte?   Stefano de Gironcoli
    • [QE-users] 回复： Which matrix the 'fildvscf' tag will calcualte?   半城烟沙
      • [QE-users] 回复： Which matrix the 'fildvscf' tag will calcualte?   半城烟沙
    • [QE-users] 回复： Which matrix the 'fildvscf' tag will calcualte?   半城烟沙
      • [QE-users] 回复： Which matrix the 'fildvscf' tag will calcualte?   Stefano de Gironcoli
      • [QE-users] 回复： 回复： Which matrix the 'fildvscf' tag will calcualte?   半城烟沙
    • [QE-users] 回复： Which matrix the 'fildvscf' tag will calcualte?   半城烟沙
• [QE-users] 答复: users Digest, Vol 214, Issue 10   Zhao Yi-Feng
  • [QE-users] users Digest, Vol 214, Issue 10   Timrov Iurii
• [QE-users] alat Units in VC-relax query   Sri Matta
  • [QE-users] alat Units in VC-relax query   Vahid Askarpour
• [QE-users] Error in band structure calculations   Zhao Yi-Feng
• [QE-users] Poor GPU scaling for Gamma-point-only calculation on multiple GPUs   Wang Xing
  • [QE-users] Poor GPU scaling for Gamma-point-only calculation on multiple GPUs   Paolo Giannozzi
    • [QE-users] Poor GPU scaling for Gamma-point-only calculation on multiple GPUs   Wang Xing
• [QE-users] Parallelization levels   Abdesalem Houari
• [QE-users] [SPAM]   By_Doma
• [QE-users] How does one read a wfck2r.x Post-processed file?   By_Doma
  • [QE-users] How does one read a wfck2r.x Post-processed file?   By_Doma
    • [QE-users] How does one read a wfck2r.x Post-processed file?   Stefano de Gironcoli
• [QE-users] [SPAM] Re: How does one read a wfck2r.x Post-processed file?   By_Doma
• [QE-users] Raman with DFT+U   Angsula Ghosh
• [QE-users] Regarding query about HSE run in Quantum espresso   BINOY CHANDRA DEY
  • [QE-users] Regarding query about HSE run in Quantum espresso   Abdesalem Houari
• [QE-users] Regarding the optimization of SCF calculations in supercells   Mateus Corradini Lopes
  • [QE-users] Regarding the optimization of SCF calculations in supercells   Lorenzo Paulatto
  • [QE-users] Regarding the optimization of SCF calculations in supercells   Giovanni Cantele
    • [QE-users] Regarding the optimization of SCF calculations in supercells   Mateus Corradini Lopes
      • [QE-users] Regarding the optimization of SCF calculations in supercells   Paolo Giannozzi
• [QE-users] QE convergence problem for molecular crystal   Si, Pradip
• [QE-users] CPMD Setup Guidelines for Metallic 2D Heterostructure System   Ms.Shruthi A S
• [QE-users] problem with ph.x in calculating x-point phonon   刘润福
  • [QE-users] problem with ph.x in calculating x-point phonon   Lorenzo Paulatto
    • [QE-users] [SPAM] 回复： problem with ph.x in calculating x-point phonon   LL
• [QE-users] Getting electrostatic potential in atomic site   Lorenzo Sponza
  • [QE-users] Getting electrostatic potential in atomic site   Lorenzo Paulatto
• [QE-users] How to choose appropriate emass and dt in cp.x with occupations = 'ensemble'?   Ms.Shruthi A S
• [QE-users] YBCO (001) slabs: "convergence" problem   michele de angelis
  • [QE-users] YBCO (001) slabs: "convergence" problem   Giovanni Cantele
    • [QE-users] YBCO (001) slabs: "convergence" problem   Pietro Davide Delugas
    • [QE-users] YBCO (001) slabs: "convergence" problem   michele de angelis
      • [QE-users] YBCO (001) slabs: "convergence" problem   Giovanni Cantele
• [QE-users] Inconsistent paw.txt output from AIIDA and default Quantum Espresso   Wei Bin How
  • [QE-users] Inconsistent paw.txt output from AIIDA and default Quantum Espresso   Pietro Davide Delugas
    • [QE-users] Inconsistent paw.txt output from AIIDA and default Quantum Espresso   Wei Bin How
• [QE-users] Pair atoms from input with output atoms ?   Husak Michal
  • [QE-users] Pair atoms from input with output atoms ?   Lorenzo Paulatto
    • [QE-users] [SPAM] Re: Pair atoms from input with output atoms ?   Michal Husak
      • [QE-users] [SPAM] Re: Pair atoms from input with output atoms ?   Stefano Baroni
    • [QE-users] [SPAM] Re: Pair atoms from input with output atoms ?   Michal Husak
      • [QE-users] [SPAM] Re: Pair atoms from input with output atoms ?   Lorenzo Paulatto
• [QE-users] el_ph_sigma   LL
• [QE-users] Trouble with MoSe2   AMOGH A .
  • [QE-users] Trouble with MoSe2   Giovanni Cantele
    • [QE-users] Trouble with MoSe2   Antonio Cammarata

Last message date: Sat May 31 10:23:58 CEST 2025
Archived on: Mon Jun 2 09:52:27 CEST 2025

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