July 2021 Archives by thread

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Starting: Thu Jul 1 09:53:43 CEST 2021
Ending: Sat Jul 31 13:48:57 CEST 2021
Messages: 138

• [QE-users] "a" "b" values in "xanes.save" show "NaN" in xspectra calculation   Lorenzo Paulatto
  • [QE-users] "a" "b" values in "xanes.save" show "NaN" in xspectra calculation   Feifei Tian
    • [QE-users] "a" "b" values in "xanes.save" show "NaN" in xspectra calculation   Feifei Tian
• [QE-users] [PROVENANCE INTERNET] Issue with Fermi energies during a nscf calculation withSOC   Paolo Giannozzi
• [QE-users] Regarding phonon calculation error   Satyasiban Dash ph19d005
  • [QE-users] Regarding phonon calculation error   Paolo Giannozzi
    • [QE-users] Regarding phonon calculation error   Satyasiban Dash ph19d005
• [QE-users] Relaxation of W2N Error   Rutika Savaliya
  • [QE-users] Relaxation of W2N Error   Paolo Giannozzi
    • [QE-users] Relaxation of W2N Error   Rutika Savaliya
      • [QE-users] Relaxation of W2N Error   Pietro Davide Delugas
• [QE-users] Doubts on phonon calculations under pressures   Jibiao Li
  • [QE-users] Doubts on phonon calculations under pressures   Jibiao Li
  • [QE-users] Doubts on phonon calculations under pressures   Stefano Baroni
• [QE-users] A quick question about vc-relax for 2dxz   Dr. K. C. Bhamu
• [QE-users] How to extract the px, py, pz, dz2, ....contributions with SOC from projdos out   Elio Physics
  • [QE-users] How to extract the px, py, pz, dz2, ....contributions with SOC from projdos out   Thomas Brumme
    • [QE-users] How to extract the px, py, pz, dz2, ....contributions with SOC from projdos out   Elio Physics
      • [QE-users] How to extract the px, py, pz, dz2, ....contributions with SOC from projdos out   Pietro Davide Delugas
      • [QE-users] How to extract the px, py, pz, dz2, ....contributions with SOC from projdos out   Pietro Davide Delugas
      • [QE-users] How to extract the px, py, pz, dz2, ....contributions with SOC from projdos out   Elio Physics
      • [QE-users] How to extract the px, py, pz, dz2, ....contributions with SOC from projdos out   Elio Physics
• [QE-users] neb - first_last_opt   Aleksandra Oranskaia
  • [QE-users] neb - first_last_opt   Lorenzo Paulatto
• [QE-users] [QE-GPU] Performance of the NGC Container   Jonathan D. Halverson
  • [QE-users] [QE-GPU] Performance of the NGC Container   Paolo Giannozzi
    • [QE-users] [QE-GPU] Performance of the NGC Container   Louis Stuber
      • [QE-users] [QE-GPU] Performance of the NGC Container   Jonathan D. Halverson
• [QE-users] Interpolation for 2D phonons results in one imaginary branch near Gamma   Thomas Brumme
  • [QE-users] Interpolation for 2D phonons results in one imaginary branch near Gamma   Stefano Baroni
    • [QE-users] Interpolation for 2D phonons results in one imaginary branch near Gamma   Thomas Brumme
      • [QE-users] Interpolation for 2D phonons results in one imaginary branch near Gamma   Vahid Askarpour
      • [QE-users] Interpolation for 2D phonons results in one imaginary branch near Gamma   Thomas Brumme
• [QE-users] order of the quantum number mj in the pDOS output   Elio Physics
  • [QE-users] order of the quantum number mj in the pDOS output   Thomas Brumme
    • [QE-users] order of the quantum number mj in the pDOS output   Elio Physics
• [QE-users] (no subject)   khouini_f at znu.ac.ir
  • [QE-users] (no subject)   khouini_f at znu.ac.ir
    • [QE-users] How can I make a Supercell?   khouini_f at znu.ac.ir
      • [QE-users] How can I make a Supercell?   Lorenzo Paulatto
      • [QE-users] How can I make a Supercell?   Fabio Costa
• [QE-users] unrecognized dft in phonon calculations   Jibiao Li
  • [QE-users] unrecognized dft in phonon calculations   Fabrizio Ferrari
  • [QE-users] unrecognized dft in phonon calculations   Lorenzo Paulatto
• [QE-users] Error in routine phq_readin   Mauro Sgroi
  • [QE-users] Error in routine phq_readin   Lorenzo Paulatto
    • [QE-users] Error in routine phq_readin   Mauro Sgroi
• [QE-users] MD in pw.x   LEUNG Clarence
• [QE-users] Error received when applying non-hydrostatic pressure at vc-relax   Arif Emre Yarimbiyik
  • [QE-users] Error received when applying non-hydrostatic pressure at vc-relax   mkondrin
• [QE-users] Bilayer graphene scf input file   Henna Malakar
• [QE-users] Ionic Polarization calculation in Quantum Espresso   Paul, Tanmoy Kumar
• [QE-users] [QE-GPU] compilation with SDK 21.5 and CUDA 11.4   Marcelo Falcão de Oliveira
  • [QE-users] [QE-GPU] compilation with SDK 21.5 and CUDA 11.4   Paolo Giannozzi
• [QE-users] Polarizability Calculations of water adsorbed on a metal surface   Jibiao Li
• [QE-users] refractive index using epsilon   mehrdad zamzamian
• [QE-users] QE6.6 installation   LEUNG Clarence
  • [QE-users] QE6.6 installation   Paolo Giannozzi
• [QE-users] Install QE 6.4.1 or QE 6.6 with Libxc.5.1.5 errors   Hong Tang
  • [QE-users] Install QE 6.4.1 or QE 6.6 with Libxc.5.1.5 errors   Fabrizio Ferrari
  • [QE-users] Install QE 6.4.1 or QE 6.6 with Libxc.5.1.5 errors   tanghong992 at outlook.com
    • [QE-users] Install QE 6.4.1 or QE 6.6 with Libxc.5.1.5 errors   Fabrizio Ferrari
      • [QE-users] Install QE 6.4.1 or QE 6.6 with Libxc.5.1.5 errors   tanghong992 at outlook.com
      • [QE-users] Install QE 6.4.1 or QE 6.6 with Libxc.5.1.5 errors   Hong Tang
      • [QE-users] Install QE 6.4.1 or QE 6.6 with Libxc.5.1.5 errors   Paolo Giannozzi
• [QE-users] Thermal decomposition temperature using QE   鲍路瑶
• [QE-users] f-orbital of Rare-Earth elements in USPP   SYED ZAIN MEHMOOD
  • [QE-users] f-orbital of Rare-Earth elements in USPP   Paolo Giannozzi
• [QE-users] Inconsistency in electronic band structure of GeP3 monolayer   Marcelo Albuquerque
  • [QE-users] Inconsistency in electronic band structure of GeP3 monolayer   Giovanni Cantele
  • [QE-users] Inconsistency in electronic band structure of GeP3 monolayer   Marcelo Albuquerque
• [QE-users] Quantum ESPRESSO v.6.8   Paolo Giannozzi
• [QE-users] Some_small_query_about_LaH3   poonamsharma
  • [QE-users] Some_small_query_about_LaH3   Matthew Marcus
  • [QE-users] Some_small_query_about_LaH3   poonamsharma
• [QE-users] QE6.8 and QE6.8 with Libxc.5.1.5 install and run errors   Hong Tang
  • [QE-users] QE6.8 and QE6.8 with Libxc.5.1.5 install and run errors   Hong Tang
    • [QE-users] QE6.8 and QE6.8 with Libxc.5.1.5 install and run errors   Hong Tang
  • [QE-users] QE6.8 and QE6.8 with Libxc.5.1.5 install and run errors   Lorenzo Paulatto
    • [QE-users] QE6.8 and QE6.8 with Libxc.5.1.5 install and run errors   Paolo Giannozzi
• [QE-users] epw erro size mismatch   王绍菲
• [QE-users] Extract Ggrid after Gamma trick   Antoine Jay
  • [QE-users] Extract Ggrid after Gamma trick   Paolo Giannozzi
• [QE-users] Regarding local dos   Satyasiban Dash ph19d005
• [QE-users] Small query about magnetization   poonamsharma
• [QE-users] Error while performing hybrid calculations   Elio Physics
• [QE-users] Regarding Stm image   Satyasiban Dash ph19d005
  • [QE-users] Regarding Stm image   Paolo Giannozzi
    • [QE-users] Regarding Stm image   pboulet
      • [QE-users] Regarding Stm image   Satyasiban Dash ph19d005
      • [QE-users] Regarding Stm image   Paolo Giannozzi
• [QE-users] When use QHA, an error 'equivalent atomic symbols are not found' happens   路洪艳
  • [QE-users] When use QHA, an error 'equivalent atomic symbols are not found' happens   Paolo Giannozzi
• [QE-users] Doubt regarding the band gap calculation of graphene using HSE06   UPASANA NATH
• [QE-users] Save charge density, not wavefunctions.   Fabio Ferreira
• [QE-users] CNT band structure   ALVANH ALEM PIDO
  • [QE-users] CNT band structure   Kazume NISHIDATE
  • [QE-users] CNT band structure   Lorenzo Paulatto
• [QE-users] QE 6.8 compilation   Mohammad Moaddeli
  • [QE-users] QE 6.8 compilation   Paolo Giannozzi
• [QE-users] Pseudopotentials error: not a valid URI   Vedant Sachin Bang
  • [QE-users] Pseudopotentials error: not a valid URI   Lorenzo Paulatto
    • [QE-users] Pseudopotentials error: not a valid URI   Paolo Giannozzi
• [QE-users] [Webinar] Cathode Design Principles for Alkali-Ion Batteries   Minkyu Park
• [QE-users] GRID parallel electron phonon coupling   Georg Eickerling
• [QE-users] Regarding smearing   Satyasiban Dash ph19d005
  • [QE-users] Regarding smearing   Lorenzo Paulatto
• [QE-users] Problem in SOC + magnetic calculations   MEGHA GOYAL
  • [QE-users] Problem in SOC + magnetic calculations   Lorenzo Paulatto
• [QE-users] Errors in opening Na and K tags in PSlibrary   Jibiao Li
  • [QE-users] Errors in opening Na and K tags in PSlibrary   Paolo Giannozzi
  • [QE-users] Errors in opening Na and K tags in PSlibrary   Jibiao Li
  • [QE-users] Errors in opening Na and K tags in PSlibrary   Lorenzo Paulatto
    • [QE-users] Errors in opening Na and K tags in PSlibrary   Paolo Giannozzi
    • [QE-users] Errors in opening Na and K tags in PSlibrary   Stefano Baroni
• [QE-users] Atomic velocities units   valeria arteaga muñiz
  • [QE-users] Atomic velocities units   Paolo Giannozzi
    • [QE-users] Atomic velocities units   valeria arteaga muñiz
  • [QE-users] Atomic velocities units   Lorenzo Paulatto
    • [QE-users] Atomic velocities units   valeria arteaga muñiz
      • [QE-users] Atomic velocities units   Lorenzo Paulatto
• [QE-users] incompatible nr1x or nr2x error of charge density differences calculations   Jibiao Li
  • [QE-users] incompatible nr1x or nr2x error of charge density differences calculations   Paolo Giannozzi
• [QE-users] Electron-phonon with Hubbard U is not supported   526587466
  • [QE-users] Electron-phonon with Hubbard U is not supported   Iurii TIMROV
  • [QE-users] Electron-phonon with Hubbard U is not supported   Iurii TIMROV
    • [QE-users] Electron-phonon with Hubbard U is not supported   W2AGZ
• [QE-users] HP with tetrahedra is not supported   526587466
  • [QE-users] HP with tetrahedra is not supported   Iurii TIMROV
• [QE-users] compilation errors @ QE 6.8 version   venky ch
  • [QE-users] compilation errors @ QE 6.8 version   venky ch
  • [QE-users] compilation errors @ QE 6.8 version   Paolo Giannozzi
    • [QE-users] compilation errors @ QE 6.8 version   venky ch
• [QE-users] pw.x Error for QE6.4   venky ch
  • [QE-users] pw.x Error for QE6.4   venky ch
• [QE-users] plot 1D charge density in quantum espresso   sara akbari
• [QE-users] regarding scan functional   Soumendra Kumar Das
  • [QE-users] regarding scan functional   Claudio A. Perottoni

Last message date: Sat Jul 31 13:48:57 CEST 2021
Archived on: Sat Jul 31 13:48:22 CEST 2021

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