June 2024 Archives by thread

• Messages sorted by: [ subject ] [ author ] [ date ]
• More info on this list...

Starting: Sat Jun 1 10:12:24 CEST 2024
Ending: Sun Jun 30 18:49:10 CEST 2024
Messages: 99

• [QE-users] Probable bug in XCrysDen-1.6.2   Mpayami
• [QE-users] calculation stops after bfgs step without writing atom coordinates   Antonio Cammarata
  • [QE-users] calculation stops after bfgs step without writing atom coordinates   Antonio Cammarata
  • [QE-users] calculation stops after bfgs step without writing atom coordinates   Kazume NISHIDATE
    • [QE-users] calculation stops after bfgs step without writing atom coordinates   Antonio Cammarata
• [QE-users] Error with QE-7.3   H. BOUAFIA
• [QE-users] File not found when finding pseudopotential in supercomputer   Guo, Mr Yiming (Bill) Guo
  • [QE-users] File not found when finding pseudopotential in supercomputer   Daniel Rothchild
• [QE-users] Error during calculation U parameter with hp.x   Maria Francisca Coelho Queirós
  • [QE-users] Error during calculation U parameter with hp.x   Lorenzo Bastonero
    • [QE-users] Error during calculation U parameter with hp.x   Paolo Giannozzi
• [QE-users] Phase transition   Gulshan Kumar
• [QE-users] Error with thermo_pw 1.9.1   H. BOUAFIA
  • [QE-users] Error with thermo_pw 1.9.1   Paolo Giannozzi
    • [QE-users] Error with thermo_pw 1.9.1   H. BOUAFIA
• [QE-users] vc-relax: symmetry issue   Pedro Augusto Franco Pinheiro Moreira
  • [QE-users] vc-relax: symmetry issue   Kazume NISHIDATE
    • [QE-users] vc-relax: symmetry issue   Pedro Augusto Franco Pinheiro Moreira
• [QE-users] Segmentation fault in qe-7.3 using DFT+U supercell calculations   Angus Gentles
• [QE-users] Segmentation fault in qe-7.3 with DFT+U   Angus Gentles
  • [QE-users] Segmentation fault in qe-7.3 with DFT+U   Kazume NISHIDATE
    • [QE-users] Segmentation fault in qe-7.3 with DFT+U   Kazume NISHIDATE
• [QE-users] Hubbard_l not set in init_hubbard (1) from bands.x   Lambertson, Evan
• [QE-users] Calculating absorption curve along XX and YY axis for 2D material   Eesha Sanjay Andharia
• [QE-users] Lattice parameters at finite temperature   Md. Jahid Hasan Sagor
  • [QE-users] Lattice parameters at finite temperature   Kazume NISHIDATE
    • [QE-users] Lattice parameters at finite temperature   Md. Jahid Hasan Sagor
• [QE-users] Pw.x Cell_factor issue   Guo, Mr Yiming (Bill) Guo
  • [QE-users] Pw.x Cell_factor issue   Guo, Mr Yiming (Bill) Guo
    • [QE-users] Pw.x Cell_factor issue   Lorenzo Paulatto
• [QE-users] 回复: Pw.x Cell_factor issue   Guo, Mr Yiming (Bill) Guo
  • [QE-users] 回复: Pw.x Cell_factor issue   Lorenzo Paulatto
• [QE-users] Problem with memory in pw2wannier90.x   Ireneusz Buganski
• [QE-users] Relaxation on LaTe3   Alejandro Lasso Castillo
  • [QE-users] Relaxation on LaTe3   Chiara Cignarella
    • [QE-users] Relaxation on LaTe3   Alejandro Lasso Castillo
      • [QE-users] Relaxation on LaTe3   Md. Jahid Hasan Sagor
  • [QE-users] Relaxation on LaTe3   Paolo Giannozzi
• [QE-users] Issue with Convergence in Geometry Optimization of LiCoO2 (104) Slab   启明
• [QE-users] Explanation of Interatomic force constant file   Md. Jahid Hasan Sagor
  • [QE-users] Explanation of Interatomic force constant file   Lorenzo Paulatto
    • [QE-users] Explanation of Interatomic force constant file   Lorenzo Paulatto
      • [QE-users] Explanation of Interatomic force constant file   Md. Jahid Hasan Sagor
• [QE-users] discontinuities in phonon band and 2D phonon bandstructure   Karkee, Rijan
  • [QE-users] discontinuities in phonon band and 2D phonon bandstructure   Lorenzo Paulatto
  • [QE-users] discontinuities in phonon band and 2D phonon bandstructure   EDUARDO ARIEL MENENDEZ PROUPIN
    • [QE-users] discontinuities in phonon band and 2D phonon bandstructure   Stefano Baroni
• [QE-users] HP.x does not produce Chi files if computing Q-points separately   O'Brien, Christopher John
  • [QE-users] HP.x does not produce Chi files if computing Q-points separately   Matteo Cococcioni
• [QE-users] different values of total and absolute magnetization for ferromagnetic Fe   Pooja Vyas
• [QE-users] calculation of Coulomb and exchange integrals in QE   Daniel Hernangomez Perez
  • [QE-users] R: calculation of Coulomb and exchange integrals in QE   Buccella Giacomo (RSE)
  • [QE-users] calculation of Coulomb and exchange integrals in QE   Ivan Carnimeo
• [QE-users] how to obtain the EPC constant λ(ω) and the logarithmic average frequency ωln(ω) after I had the phonon spectra?   陶琨
  • [QE-users] how to obtain the EPC constant λ(ω) and the logarithmic average frequency ωln(ω) after I had the phonon spectra?   陶琨
• [QE-users] Hubbard error in ph.x   Weng, Shih-Han
• [QE-users] Puzzle in using Wannier90 to compare with the result obtained by qe7.3   wangzongyi at mail.ustc.edu.cn
• [QE-users] pp.x caused an error when treating hdf5 files   ＺＨＡＮＧＤＡＰＥＮＧ
  • [QE-users] pp.x caused an error when treating hdf5 files   Pietro Davide Delugas
• [QE-users] (no subject)   Pooja Vyas
• [QE-users] error in scf calculation using wyckoff positions   Pooja Vyas
  • [QE-users] error in scf calculation using wyckoff positions   Paolo Giannozzi
    • [QE-users] error in scf calculation using wyckoff positions   Pooja Vyas
      • [QE-users] error in scf calculation using wyckoff positions   Paolo Giannozzi
• [QE-users] How to fix "ps-label wrong?" error in ld1.x code   陈科帆
  • [QE-users] How to fix "ps-label wrong?" error in ld1.x code   Giuseppe Mattioli
• [QE-users] Not converging   Gulshan Kumar
  • [QE-users] Not converging   Chiara Cignarella
    • [QE-users] Not converging   Gulshan Kumar
• [QE-users] Recompilation of ZG.f90   Md. Jahid Hasan Sagor
  • [QE-users] Recompilation of ZG.f90   Md. Jahid Hasan Sagor
• [QE-users] Question about dyn file in phonon calculation   a.esmaeili at urmia.ac.ir
  • [QE-users] Question about dyn file in phonon calculation   Md. Jahid Hasan Sagor
• [QE-users] Energy not decreasing when running vc-relax calculation with 'r2scan' functional   陈科帆
• [QE-users] root not converged in phonon calculation   Marco Infantino
• [QE-users] Parallel calculation in two different nodes   H. BOUAFIA
• [QE-users] PbTiO3 slab in vacuum with assume_isolated='2D'   Lucian D. Filip
  • [QE-users] PbTiO3 slab in vacuum with assume_isolated='2D'   Lucian D. Filip
    • [QE-users] PbTiO3 slab in vacuum with assume_isolated='2D'   Pietro Davide Delugas
  • [QE-users] PbTiO3 slab in vacuum with assume_isolated='2D'   Lorenzo Paulatto
    • [QE-users] PbTiO3 slab in vacuum with assume_isolated='2D'   Lucian D. Filip
    • [QE-users] PbTiO3 slab in vacuum with assume_isolated='2D'   Lucian D. Filip
• [QE-users] MatSQ Upcoming Webinar: "Modeling structural transitions in condensed matter: order parameters and kinetic rates from affordable amounts of simulation data"   Gabriele Mogni
• [QE-users] question related to point defect zpl and delta scf method   Marin Qiup
• [QE-users] Noncollinear DFT+U   Jinyuan Wu
• [QE-users] magnetic moment and absolute magnetization   Pooja Vyas
  • [QE-users] magnetic moment and absolute magnetization   Ing. Martin Matas
• [QE-users] Hybrid pseudopotential   Gulshan Kumar
  • [QE-users] Hybrid pseudopotential   Giuseppe Mattioli
• [QE-users] bands.x stops without any CRASH file   Bhargab Kakati
• [QE-users] PHonon regression   Scott Brozell
• [QE-users] input file format for ibrav2cell.x   Bhargab Kakati
  • [QE-users] input file format for ibrav2cell.x   Paolo Giannozzi
• [QE-users] QE installation error with gpu   sjang at sejong.edu
  • [QE-users] QE installation error with gpu   Paolo Giannozzi
  • [QE-users] QE installation error with gpu   Pietro Davide Delugas
• [QE-users] Input File Verification for Hydrogen Bond Analysis in QE   Le, Tran T.
• [QE-users] Issue with NiO Band Structure Alignment Using Hubbard Correction   NAIMI SALMA
  • [QE-users] Issue with NiO Band Structure Alignment Using Hubbard Correction   Johnson, Miles R.

Last message date: Sun Jun 30 18:49:10 CEST 2024
Archived on: Sun Jun 30 18:49:36 CEST 2024

• Messages sorted by: [ subject ] [ author ] [ date ]
• More info on this list...