September 2024 Archives by thread

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Starting: Mon Sep 2 02:54:41 CEST 2024
Ending: Mon Sep 30 16:37:14 CEST 2024
Messages: 54

• [QE-users] Why is the Dirac point of the pristine graphene above the Fermi level through the calculation with Quantum Espresso?   宋克楠
  • [QE-users] Why is the Dirac point of the pristine graphene above the Fermi level through the calculation with Quantum Espresso?   Lorenzo Paulatto
• [QE-users] Bulk modulus and Total energy MgH2   RAQUEL YANES RODRIGUEZ
  • [QE-users] Bulk modulus and Total energy MgH2   Paolo Giannozzi
• [QE-users] Negative values showing in real part of dielectric function of Silicon   Md. Jahid Hasan Sagor
• [QE-users] d3hess.x runs out of memory   Jan-Benedikt Weiss
  • [QE-users] d3hess.x runs out of memory   Paolo Giannozzi
    • [QE-users] d3hess.x runs out of memory   Jan-Benedikt Weiss
      • [QE-users] d3hess.x runs out of memory   Paolo Giannozzi
• [QE-users] [SPAM] Assistance with Convergence Issues of Surface Calculations   Vinay Maithani
  • [QE-users] [SPAM] Re: Assistance with Convergence Issues of Surface Calculations   Giuseppe Mattioli
  • [QE-users] [SPAM] Re: Assistance with Convergence Issues of Surface Calculations   Vinay Maithani
    • [QE-users] [SPAM] Re: Re: Assistance with Convergence Issues of Surface Calculations   Giuseppe Mattioli
      • [QE-users] [SPAM] Re: Re: Re: Assistance with Convergence Issues of Surface Calculations   Vinay Maithani
      • [QE-users] [SPAM] Re: Re: Re: Re: Assistance with Convergence Issues of Surface Calculations   Paolo Giannozzi
• [QE-users] How do I optimize the cutoff energy for the wave function and the cutoff kinetic energy for the density?   fatemeh mahmudi
• [QE-users] (no subject)   fatemeh mahmudi
• [QE-users] Convergence issue in relaxation calculation   Bhargab Kakati
  • [QE-users] Convergence issue in relaxation calculation   Bhargab Kakati
    • [QE-users] Convergence issue in relaxation calculation   sogenyi at student.eaifr.org
      • [QE-users] Convergence issue in relaxation calculation   Bhargab Kakati
      • [QE-users] Convergence issue in relaxation calculation   Bhargab Kakati
      • [QE-users] Convergence issue in relaxation calculation   Omar A. Ashour
      • [QE-users] Convergence issue in relaxation calculation   Bhargab Kakati
      • [QE-users] Convergence issue in relaxation calculation   Bhargab Kakati
• [QE-users] The produced xsf files cannot be open by xcrysden   jibiaoli
• [QE-users] Possible error in documentation of matdyn.x (v 7.3.1)   Ghosh, Prasenjit
• [QE-users] Guidance on Band Structure Calculation with HSE Hybrid Functional   MOSES NTSIFUL
• [QE-users] Inquiry on Allocating 50 GB of Scratch Space for Quantum Espresso Calculations   MOSES NTSIFUL
• [QE-users] [SPAM] AW: AW: Fourier Transform of Local Pseudopotential and G=0 limit   Erik.Schultheis at dlr.de
  • [QE-users] [SPAM] Re: AW: AW: Fourier Transform of Local Pseudopotential and G=0 limit   Paolo Giannozzi
• [QE-users] parallel parameter in qe   Marin
• [QE-users] Error in neb.x - double free or corruption   Suraj P
• [QE-users] [SPAM] GPU-accelerated pw.x error: "cusolverDnZhegvdx failed"   Nagy Gergely Norbert
  • [QE-users] [SPAM] GPU-accelerated pw.x error: "cusolverDnZhegvdx failed"   Paolo Giannozzi
    • [QE-users] [SPAM] GPU-accelerated pw.x error: "cusolverDnZhegvdx failed"   Nagy Gergely Norbert
• [QE-users] Relaxation: bfgs failed after 4 scf cycles and 3 bfgs steps, convergence not achieved   aleksandr.doma at yahoo.com
  • [QE-users] Relaxation: bfgs failed after 4 scf cycles and 3 bfgs steps, convergence not achieved   Paolo Giannozzi
• [QE-users] [SPAM] Thermo_pw related problem   msz248342
• [QE-users] Doubt regarding choice of conv_thr   Vinay Maithani
  • [QE-users] Doubt regarding choice of conv_thr   Nicola Marzari
• [QE-users] Plot wave function and spin density   Ho Viet Thang - Khoa Hoa
• [QE-users] Regarding query on DOS/Bands calculation   BINOY CHANDRA DEY
  • [QE-users] Regarding query on DOS/Bands calculation   Giovanni Cantele
• [QE-users] QE-GPU Running Error   Hazra, Shilpa
  • [QE-users] QE-GPU Running Error   Hazra, Shilpa
  • [QE-users] QE-GPU Running Error   Pietro Davide Delugas
• [QE-users] It is neccesary to make a vc-relax in each DFT U+V calculation?   ROBERT MIKHAIL GUZMAN ARELLANO
  • [QE-users] It is neccesary to make a vc-relax in each DFT U+V calculation?   Timrov Iurii
    • [QE-users] It is neccesary to make a vc-relax in each DFT U+V calculation?   ROBERT MIKHAIL GUZMAN ARELLANO
      • [QE-users] It is neccesary to make a vc-relax in each DFT U+V calculation?   Timrov Iurii
      • [QE-users] It is neccesary to make a vc-relax in each DFT U+V calculation?   Giuseppe Mattioli
      • [QE-users] It is neccesary to make a vc-relax in each DFT U+V calculation?   Timrov Iurii
• [QE-users] Error in q2r.x   Md. Jahid Hasan Sagor

Last message date: Mon Sep 30 16:37:14 CEST 2024
Archived on: Mon Sep 30 16:36:37 CEST 2024

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