June 2018 Archives by thread

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Starting: Fri Jun 1 05:07:39 CEST 2018
Ending: Sat Jun 30 16:28:07 CEST 2018
Messages: 88

• [QE-users] 答复: 答复: Magnetic moment and Spin polarization in cp.x   LEUNG Clarence
  • [QE-users] 答复: 答复: Magnetic moment and Spin polarization in cp.x   Paolo Giannozzi
    • [QE-users] 答复: 答复: 答复: Magnetic moment and Spin polarization in cp.x   LEUNG Clarence
      • [QE-users] 答复: 答复: 答复: Magnetic moment and Spin polarization in cp.x   Paolo Giannozzi
      • [QE-users] 答复: 答复: 答复: 答复: Magnetic moment and Spin polarization in cp.x   LEUNG Clarence
      • [QE-users] 答复: 答复: 答复: Magnetic moment and Spin polarization in cp.x   Giuseppe Mattioli
• [QE-users] 'Tot_charge = x' on surface calculations   Laurens Siemons
• [QE-users] Mailman privacy alert   halim said
• [QE-users] Getting convergence on a cell obtained from a cif using vc-relax   Reinaldo Pis Diez
  • [QE-users] Getting convergence on a cell obtained from a cif using vc-relax   Giuseppe Mattioli
  • [QE-users] Getting convergence on a cell obtained from a cif using vc-relax   Arles V. Gil Rebaza
    • [QE-users] Getting convergence on a cell obtained from a cif using vc-relax   Reinaldo Pis Diez
• [QE-users] Restarting a hybrid calculation   Ary Junior
  • [QE-users] Restarting a hybrid calculation   Ary Junior
    • [QE-users] Restarting a hybrid calculation   Paolo Giannozzi
• [QE-users] Capability of calculating pw.x on mixed perovskite, e.g. CsSnI(3-x)Br(x)   Chan, Edmund
• [QE-users] Opening for PhD position in Physics at the University of Parma.   Roberto DE RENZI
• [QE-users] Problem in phonon calculation with version 6.2   黄志硕
  • [QE-users] wfc files with PP   Bruno Madebène
    • [QE-users] wfc files with PP   Paolo Giannozzi
      • [QE-users] wfc files with PP   Paolo Giannozzi
• [QE-users] DFT+vdW surf   Ian Shuttleworth
• [QE-users] File write problems : suspected gpfs filesystem issues   Ian Shuttleworth
  • [QE-users] File write problems : suspected gpfs filesystem issues   Paolo Giannozzi
    • [QE-users] File write problems : suspected gpfs filesystem issues   Ian Shuttleworth
• [QE-users] units of potential   Robert Andrawis
  • [QE-users] units of potential   Matic Poberznik
• [QE-users] Optimized structure has not been printed   pmoreira at ifi.unicamp.br
  • [QE-users] Optimized structure has not been printed   Giuseppe Mattioli
    • [QE-users] Optimized structure has not been printed   pmoreira at ifi.unicamp.br
      • [QE-users] Optimized structure has not been printed   Paolo Giannozzi
• [QE-users] MaX Hackathon, Barcelona, 16-20 July 2018   Andrea Ferretti
• [QE-users] Bader Charge   Sudha Priyanka
  • [QE-users] Bader Charge   Laurens Siemons
• [QE-users] Pw.x md output data   Roman Voronkov
• [QE-users] subsription request   abdou bendeddouche
  • [QE-users] calculation of non stable state   Konrad Gruszka
    • [QE-users] calculation of non stable state   Lorenzo Paulatto
      • [QE-users] calculation of non stable state   Konrad Gruszka
      • [QE-users] calculation of non stable state   Lorenzo Paulatto
      • [QE-users] calculation of non stable state   Konrad Gruszka
      • [QE-users] calculation of non stable state   Lorenzo Paulatto
      • [QE-users] calculation of non stable state   Konrad Gruszka
      • [QE-users] calculation of non stable state   Lorenzo Paulatto
• [QE-users] Bug in punch_band_2d in bands.f90   Gul Rahman
• [QE-users] Third party packages to plot Band structure and density of states   B S Bhushan
  • [QE-users] Third party packages to plot Band structure and density of states   Paolo Giannozzi
    • [QE-users] Third party packages to plot Band structure and density of states   B S Bhushan
      • [QE-users] Third party packages to plot Band structure and density of states   Saibabu Madas
      • [QE-users] Third party packages to plot Band structure and density of states   B S Bhushan
  • [QE-users] Third party packages to plot Band structure and density of states   Suresh A
    • [QE-users] Third party packages to plot Band structure and density of states   B S Bhushan
• [QE-users] users Digest, Vol 131, Issue 10   Suresh A
• [QE-users] Error in routine gen_at_dj (1): unexpected error in vc-relax calculation with lda+u   Yogesh Kumar
  • [QE-users] Error in routine gen_at_dj (1): unexpected error in vc-relax calculation with lda+u   Giuseppe Mattioli
• [QE-users] Degauss for gaussian smearing   Roman Voronkov
  • [QE-users] Degauss for gaussian smearing   Paolo Giannozzi
• [QE-users] Workshop on crystal structure prediction using the USPEX code   Vladimir Baturin
• [QE-users] Phonons: link between normalised eigenmodes and real atomic displacement at a given temperature   JAY Antoine
• [QE-users] help: Pseudopotentials PAW_PBE   Franck Ngassamnyakam
  • [QE-users] help: Pseudopotentials PAW_PBE   Subrata Jana
  • [QE-users] help: Pseudopotentials PAW_PBE   Paolo Giannozzi
• [QE-users] Error compiling Quantum Espresso-6.2.1 in Linux Ubuntu 18.04 LTS   Luis Antonio Leon Martinez
  • [QE-users] Error compiling Quantum Espresso-6.2.1 in Linux Ubuntu 18.04 LTS   Paolo Giannozzi
• [QE-users] charging a defect (spreading of charge)   Christoph Wolf
• [QE-users] Compilation problem on ubuntu 18.04 LTS solved   Luis Antonio Leon Martinez
• [QE-users] Help: Charge is wrong error in SCF calculation   sayan chaudhuri
  • [QE-users] Help: Charge is wrong error in SCF calculation   Paolo Giannozzi
  • [QE-users] Help: Charge is wrong error in SCF calculation   Lorenzo Paulatto
    • [QE-users] Help: Charge is wrong error in SCF calculation   sayan chaudhuri
      • [QE-users] Help: Charge is wrong error in SCF calculation   sayan chaudhuri
• [QE-users] Expert users view required on FFT_LIBS and IFLAGS with QE-6.2.1   Dr. K. C. Bhamu
• [QE-users] orbital molecule   Mahdie Zeinali
• [QE-users] large memory consumption of ph.x (QE 6.2.1)   Christoph Wolf
• [QE-users] Enthalpy report in vc-relax runs   Print S.
  • [QE-users] Enthalpy report in vc-relax runs   Lorenzo Monacelli
    • [QE-users] Enthalpy report in vc-relax runs   Paolo Giannozzi
• [QE-users] phonon convergence problem of supercells   Christoph Wolf
  • [QE-users] ?==?utf-8?q? phonon convergence problem of supercells   JAY Antoine
  • [QE-users] phonon convergence problem of supercells   Christoph Wolf
  • [QE-users] phonon convergence problem of supercells   Christoph Wolf
• [QE-users] dipole correction - "saggy" electrostatic potential?   Christoph Wolf
  • [QE-users] dipole correction - "saggy" electrostatic potential?   Dr. Thomas Brumme
    • [QE-users] dipole correction - "saggy" electrostatic potential?   Christoph Wolf
• [QE-users] Issue in restarting QE calculation   Marcos Veríssimo Alves
• [QE-users] Bands.x calculation in QE-GPU   DongKyu Lee
  • [QE-users] Bands.x calculation in QE-GPU   Paolo Giannozzi
• [QE-users] DFT+U and surfaces -- convergence   Roberto Gomes de Aguiar Veiga

Last message date: Sat Jun 30 16:28:07 CEST 2018
Archived on: Sat Jun 30 16:28:35 CEST 2018

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