March 2025 Archives by thread

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Starting: Sun Mar 2 06:04:54 CET 2025
Ending: Mon Mar 31 13:42:55 CEST 2025
Messages: 72

• [QE-users] Details of Automatic FFT Grid Size Calculation   Dyer, Brock
  • [QE-users] Details of Automatic FFT Grid Size Calculation   Pietro Davide Delugas
  • [QE-users] Details of Automatic FFT Grid Size Calculation   Stefano de Gironcoli
    • [QE-users] Details of Automatic FFT Grid Size Calculation   Dyer, Brock
• [QE-users] Discrepancy in k-point sampling   Zimmi Singh
  • [QE-users] Discrepancy in k-point sampling   Giovanni Cantele
    • [QE-users] Discrepancy in k-point sampling   Zimmi Singh
• [QE-users] Issue with scf_elastic_constants Calculation in thermo_pw (frozen_ions=.FALSE.)   Vinay Maithani
• [QE-users] QE version causing difference   Gulshan Kumar
  • [QE-users] QE version causing difference   Giovanni Cantele
    • [QE-users] QE version causing difference   Gulshan Kumar
• [QE-users] Problem in Band Gap Calculation Using PBE with Different Pseudopotentials   Zahid Rashid
  • [QE-users] Problem in Band Gap Calculation Using PBE with Different Pseudopotentials   Giovanni Cantele
• [QE-users] Compilation issue under MacOs: 7.3 versus 7.3.1   Giovanni Cantele
  • [QE-users] Compilation issue under MacOs: 7.3 versus 7.3.1   Pietro Davide Delugas
• [QE-users] Compiling optimal QE in HPC   Abdul Muhaymin
• [QE-users] assignments of N-K edge XAS peaks in NH2CH3   Ishiyama,Takahisa_石山 貴久
  • [QE-users] assignments of N-K edge XAS peaks in NH2CH3   Lorenzo Paulatto
• [QE-users] QE version causing difference (Gulshan Kumar)   EDUARDO ARIEL MENENDEZ PROUPIN
• [QE-users] Error during fqha.x calculation   Suraj P
  • [QE-users] Error during fqha.x calculation   Suraj P
    • [QE-users] Error during fqha.x calculation   Paolo Giannozzi
• [QE-users] Phonon calculation does not finish   徳山和映
• [QE-users] [vc-relax and ion-convergence(3) error]   박기명
  • [QE-users] [vc-relax and ion-convergence(3) error]   Giuseppe Mattioli
• [QE-users] Relativistic momentum operator   Thomas Brumme
• [QE-users] Query Regarding Zero Activation Energy in NEB Calculations   ASWATHY JAYAPRAKASH
  • [QE-users] Query Regarding Zero Activation Energy in NEB Calculations   Dyer, Brock
• [QE-users] (no subject)   Gulshan Kumar
  • [QE-users] (no subject)   Paolo Giannozzi
• [QE-users] Discontinuity in electronic fictitious K.E observed on cp.x restarts   Rashid Rafeek V Valappil 2010216
• [QE-users] V2C showing V-V bonds   Ms.Shruthi A S
  • [QE-users] V2C showing V-V bonds   Tone Kokalj
    • [QE-users] V2C showing V-V bonds   Ms.Shruthi A S
  • [QE-users] [SPAM] Re: V2C showing V-V bonds   Giovanni La Penna
• [QE-users] Xcryden :Warning message "Huge number of bonds "   Ms. Chandrika K.
  • [QE-users] Xcryden :Warning message "Huge number of bonds "   Tone Kokalj
  • [QE-users] Xcryden :Warning message "Huge number of bonds "   Giovanni Cantele
    • [QE-users] Xcryden :Warning message "Huge number of bonds "   Ms. Chandrika K.
      • [QE-users] Xcryden :Warning message "Huge number of bonds "   Vahid Askarpour
      • [QE-users] Fw: Xcryden :Warning message "Huge number of bonds "   Ms. Chandrika K.
      • [QE-users] Fw: Xcryden :Warning message "Huge number of bonds "   Tone Kokalj
      • [QE-users] Xcryden :Warning message "Huge number of bonds "   Tone Kokalj
      • [QE-users] Xcryden :Warning message "Huge number of bonds "   Pietro Davide Delugas
  • [QE-users] Xcryden :Warning message "Huge number of bonds "   Paolo Giannozzi
• [QE-users] Segmentation fault while using Wannier90 with Qauntum ESPRESSO   Yuvam Bhateja
• [QE-users] Issue regarding electrostatic potential profile   Ankush Bharti
  • [QE-users] Fw: Issue regarding electrostatic potential profile   Ankush Bharti
• [QE-users] Query Regarding Unusually Large Binding Energies for Co/Ni Doping on a substrate   ASWATHY JAYAPRAKASH
• [QE-users] Quantum ESPRESSO v.7.4.1   Paolo Giannozzi
• [QE-users] pw.x - regrouping atoms   Fnukal Frantisek
  • [QE-users] pw.x - regrouping atoms   Lorenzo Paulatto
• [QE-users] Negative phonon frequencies   sally issa
  • [QE-users] QE build for Windows under MSYS2 ....   Michal Husak
    • [QE-users] QE build for Windows under MSYS2 ....   Fedor
      • [QE-users] QE build for Windows under MSYS2 ....   Fedor
• [QE-users] output file of Ni.pp shows namelist plot not found orinvalid.   owais farooq
• [QE-users] Electronic-structure simulations for user communities at large scale facilities   Nicola Marzari
• [QE-users] How to Get the Occupation Number from QE?   谭 聪
• [QE-users] Issue with Molecular Orbital Plot in Quantum ESPRESSO (Cu₂Cl₆ System)   Prem Prakash Sahu
  • [QE-users] Issue with Molecular Orbital Plot in Quantum ESPRESSO (Cu₂Cl₆ System)   Jonathan Konyi Kakulu
  • [QE-users] Issue with Molecular Orbital Plot in Quantum ESPRESSO (Cu₂Cl₆ System)   Paolo Giannozzi
• [QE-users] Carbon nanotube maker   Kazume NISHIDATE
• [QE-users] Symmetry handling for solid solution   Deoyani Shelke
• [QE-users] Symmetry Not Recognized in SCF Calculation for a 2D Carbon Allotrope (ibrav=6)   Zimmi Singh
  • [QE-users] Symmetry Not Recognized in SCF Calculation for a 2D Carbon Allotrope (ibrav=6)   Giovanni Cantele
• [QE-users] Working principle of press tag in vc relax calculation   Anupriya Nyayban
  • [QE-users] Working principle of press tag in vc relax calculation   Stefano de Gironcoli
• [QE-users] Elastic Constant with PWSCF in Quantum Espresso   Jonathan Konyi Kakulu
  • [QE-users] Elastic Constant with PWSCF in Quantum Espresso   Giovanni Cantele
  • [QE-users] Elastic Constant with PWSCF in Quantum Espresso   Stefano de Gironcoli
• [QE-users] Paris International School on Advanced Computational Materials Science (PISACMS), August 2025   Ari Paavo SEITSONEN

Last message date: Mon Mar 31 13:42:55 CEST 2025
Archived on: Mon Mar 31 13:36:30 CEST 2025

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