August 2018 Archives by thread

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Starting: Wed Aug 1 01:34:38 CEST 2018
Ending: Fri Aug 31 23:10:08 CEST 2018
Messages: 171

• [QE-users] Appropriate option for cell_dofree with hexagonal cell and variable cell relaxation   Dan Gil
  • [QE-users] Appropriate option for cell_dofree with hexagonal cell and variable cell relaxation   Lorenzo Paulatto
    • [QE-users] Appropriate option for cell_dofree with hexagonal cell and variable cell relaxation   Dan Gil
• [QE-users] Problem with compiling thermo_pw (with QE 6.3)   Christoph Wolf
• [QE-users] Reg: calculation of Hubbard_U parameter   Hanuma Kumar
  • [QE-users] Reg: calculation of Hubbard_U parameter   Cococcioni Matteo
  • [QE-users] Reg: calculation of Hubbard_U parameter   Hanuma Kumar
• [QE-users] QE 5.3 for DFT-D3   LEUNG Clarence
  • [QE-users] QE 5.3 for DFT-D3   Pietro Delugas
• [QE-users] Adsorption studies   Paolo Costa
• [QE-users] Adsorption Studies - "Error in routine bfgs (1): dE0s is positive which should never happen"   Paolo Costa
• [QE-users] GIPAW Segmentation Fault   Ben Comer
  • [QE-users] GIPAW Segmentation Fault   Davide Ceresoli
    • [QE-users] GIPAW Segmentation Fault   Holzwarth, Natalie
      • [QE-users] GIPAW Segmentation Fault   Pietro Delugas
      • [QE-users] GIPAW Segmentation Fault   Holzwarth, Natalie
  • [QE-users] GIPAW Segmentation Fault   Ben Comer
    • [QE-users] GIPAW Segmentation Fault   Davide Ceresoli
• [QE-users] Soft Hydrogen Pseudopotentials   Matthieu Fortin-Deschênes
  • [QE-users] Soft Hydrogen Pseudopotentials   Giuseppe Mattioli
    • [QE-users] Soft Hydrogen Pseudopotentials   Matthieu Fortin-Deschênes
      • [QE-users] Soft Hydrogen Pseudopotentials   Giuseppe Mattioli
      • [QE-users] Soft Hydrogen Pseudopotentials   Matthieu Fortin-Deschênes
      • [QE-users] Soft Hydrogen Pseudopotentials   Pietro Delugas
• [QE-users] Need to generate xcrysden mpeg file   Raj kamal
• [QE-users] thermal conductivity tensor with spin-orbit coupling quantum espresso-interface-BoltzTrap does not work   S Baidya
• [QE-users] How to obtain fermi energy through pDOS calculation of quantum espresso?   문태환
  • [QE-users] How to obtain fermi energy through pDOS calculation of quantum espresso?   Stefano Baroni
    • [QE-users] How to obtain fermi energy through pDOS calculation of quantum espresso?   문태환
      • [QE-users] How to obtain fermi energy through pDOS calculation of quantum espresso?   Stefano Baroni
• [QE-users] Problem when running the pw.x executable   Aziz Fall
  • [QE-users] Problem when running the pw.x executable   Ye Luo
    • [QE-users] Problem when running the pw.x executable   Aziz Fall
      • [QE-users] Problem when running the pw.x executable   Aziz Fall
      • [QE-users] Problem when running the pw.x executable   Ye Luo
      • [QE-users] Problem when running the pw.x executable   Aziz Fall
      • [QE-users] Problem when running the pw.x executable   Ye Luo
      • [QE-users] Problem when running the pw.x executable   Aziz Fall
      • [QE-users] Problem when running the pw.x executable   Ye Luo
      • [QE-users] Problem when running the pw.x executable   Aziz Fall
      • [QE-users] Problem when running the pw.x executable   Ye Luo
      • [QE-users] Problem when running the pw.x executable   Aziz Fall
      • [QE-users] Problem when running the pw.x executable   Aziz Fall
      • [QE-users] Problem when running the pw.x executable   Ye Luo
      • [QE-users] Problem when running the pw.x executable   Ye Luo
      • [QE-users] Problem when running the pw.x executable   Aziz Fall
      • [QE-users] Problem when running the pw.x executable   Aziz Fall
      • [QE-users] Problem when running the pw.x executable   Ye Luo
      • [QE-users] Problem when running the pw.x executable   Aziz Fall
      • [QE-users] Problem when running the pw.x executable   Will DeBenedetti
      • [QE-users] Problem when running the pw.x executable   Ye Luo
      • [QE-users] Problem when running the pw.x executable   Aziz Fall
• [QE-users] Segmentation Fault when running pw.x   Aziz Fall
  • [QE-users] Segmentation Fault when running pw.x   Natalie Holzwarth
    • [QE-users] Segmentation Fault when running pw.x   Aziz Fall
      • [QE-users] Segmentation Fault when running pw.x   Aziz Fall
      • [QE-users] Segmentation Fault when running pw.x   Tobias Kloeffel
• [QE-users] Issue with MPIRUN when executing pw.x script   Aziz Fall
  • [QE-users] Issue with MPIRUN when executing pw.x script   Pietro Delugas
    • [QE-users] Issue with MPIRUN when executing pw.x script   Aziz Fall
• [QE-users] Dielectric tensor   Chandler Bennett
  • [QE-users] Dielectric tensor   Stefano Baroni
    • [QE-users] Dielectric tensor   Chandler Bennett
      • [QE-users] Dielectric tensor   Stefano Baroni
• [QE-users] Local charge   Mohammadreza Hosseini
  • [QE-users] Local charge   Comer, Benjamin M
    • [QE-users] Local charge   Robert Molt
• [QE-users] Fwd: Oxygen missing in CoFe2O4 input file   hamed asadi
  • [QE-users] Oxygen missing in CoFe2O4 input file   hamed asadi
    • [QE-users] Oxygen missing in CoFe2O4 input file   Lars Blumenthal
• [QE-users] Problem in Convergence of ph.out in phonon calculations   Sina Malakpour
  • [QE-users] Problem in Convergence of ph.out in phonon calculations   Rita Maji
  • [QE-users] Problem in Convergence of ph.out in phonon calculations   Natalie Holzwarth
• [QE-users] CoFe2O4 input file   hamed asadi
  • [QE-users] CoFe2O4 input file   Minho Lee
• [QE-users] Memory requirements of projwfc.x in k-resolved case   Thomas Brumme
  • [QE-users] Memory requirements of projwfc.x in k-resolved case   Thomas Brumme
• [QE-users] error while compiling   Mirwaiz Rahaman
  • [QE-users] error while compiling   Minho Lee
• [QE-users] Current use of hybrid xc-functionals (PBE0/HSE)   chris sewell
  • [QE-users] Current use of hybrid xc-functionals (PBE0/HSE)   Giuseppe Mattioli
    • [QE-users] Current use of hybrid xc-functionals (PBE0/HSE)   chris sewell
• [QE-users] HSE calculation for ZnO band structure converges slow   Tan Hengxin
  • [QE-users] HSE calculation for ZnO band structure converges slow   Stefano Baroni
  • [QE-users] HSE calculation for ZnO band structure converges slow   Ari P Seitsonen
• [QE-users] EXX+soc in QE 6.3 ?   Malte Sachs
  • [QE-users] EXX+soc in QE 6.3 ?   Ari P Seitsonen
• [QE-users] SCF convergeance without smearing when HO and LU are closed   JAY Antoine
  • [QE-users] SCF convergeance without smearing when HO and LU are closed   Stefano Baroni
    • [QE-users] ?==?utf-8?q? SCF convergeance without smearing when HO and LU are closed   JAY Antoine
• [QE-users] Lowdin charge not equal to the total number of electrons   Fernando Soto
  • [QE-users] Lowdin charge not equal to the total number of electrons   Stefano de Gironcoli
• [QE-users] Difference in phonon frequencies produced by matdyn.x   Jie Peng
  • [QE-users] Difference in phonon frequencies produced by matdyn.x   Stefano de Gironcoli
• [QE-users] Silicon conductivity   Andrey Chibisov
  • [QE-users] Silicon conductivity   Andrey Chibisov
• [QE-users] Query reg. restart pw.x   Arkadeep Marik
  • [QE-users] Query reg. restart pw.x   Arkadeep Marik
    • [QE-users] Query reg. restart pw.x   Pietro Delugas
• [QE-users] data analysis/ band character   Marco Polo
  • [QE-users] data analysis/ band character   Marco Polo
• [QE-users] band character file   Marco Polo
• [QE-users] actual ecutwfc for Uranium PAW pseudo is way greater than recommended   Sudip Kumar Mondal
  • [QE-users] actual ecutwfc for Uranium PAW pseudo is way greater than recommended   Malte Sachs
  • [QE-users] actual ecutwfc for Uranium PAW pseudo is way greater than recommended   Lorenzo Paulatto
  • [QE-users] actual ecutwfc for Uranium PAW pseudo is way greater than recommended   Sudip Kumar Mondal
• [QE-users] Query reg. kpoints.x   Arkadeep Marik
  • [QE-users] Query reg. kpoints.x   Pietro Delugas
• [QE-users] users Digest, Vol 133, Issue 18   Sudip Kumar Mondal
• [QE-users] Thermo_pw interfaced with QE   James Sifuna
• [QE-users] query reg. matdyn.X output file   Arkadeep Marik
• [QE-users] Monte carlo simulations   Amreen Bano
• [QE-users] A problem of parallel excuting pwcond.x(SOC)   Hamideh Kahnouji
• [QE-users] Question on Initial and final energies in NEB   Stella, Martina
  • [QE-users] Question on Initial and final energies in NEB   Stefano Baroni
    • [QE-users] Question on Initial and final energies in NEB   Stella, Martina
      • [QE-users] Question on Initial and final energies in NEB   Stefano Baroni
• [QE-users] About electron-phonon coupling matrix elements   Han Yang
• [QE-users] (no subject)   Dan Gil
  • [QE-users] (no subject)   Fariba Nazari
  • [QE-users] (no subject)   Paolo Giannozzi
    • [QE-users] (no subject)   Dan Gil
      • [QE-users] (no subject)   Paolo Giannozzi
      • [QE-users] (no subject)   Dan Gil
• [QE-users] ph.x: problem with "electric fields calculation" - again   Christoph Wolf
• [QE-users] Need example problem about silicon.   Hao Chen
  • [QE-users] Need example problem about silicon.   Stefano Baroni
    • [QE-users] Need example problem about silicon.   Hao Chen
• [QE-users] Spin-polarized scf calculation without spin-orbit contribution   Hüsnü Kara
  • [QE-users] Spin-polarized scf calculation without spin-orbit contribution   Arles V. Gil Rebaza
    • [QE-users] Spin-polarized scf calculation without spin-orbit contribution   Hüsnü Kara
      • [QE-users] Spin-polarized scf calculation without spin-orbit contribution   Hüsnü Kara
      • [QE-users] Spin-polarized scf calculation without spin-orbit contribution   Paolo Giannozzi
      • [QE-users] Spin-polarized scf calculation without spin-orbit contribution   Hüsnü Kara
      • [QE-users] Spin-polarized scf calculation without spin-orbit contribution   Fariba Nazari
  • [QE-users] Spin-polarized scf calculation without spin-orbit contribution   Hüseyin Yasin Uzunok
• [QE-users] How to carry out a series of simulations at the same time and output the stress and energy to one file?   Hao Chen
  • [QE-users] How to carry out a series of simulations at the same time and output the stress and energy to one file?   Stefano Baroni
    • [QE-users] How to carry out a series of simulations at the same time and output the stress and energy to one file?   Hao Chen
      • [QE-users] How to carry out a series of simulations at the same time and output the stress and energy to one file?   Weitzner, Stephen Eric
      • [QE-users] How to carry out a series of simulations at the same time and output the stress and energy to one file?   Hao Chen
      • [QE-users] How to carry out a series of simulations at the same time and output the stress and energy to one file?   Minho Lee
      • [QE-users] How to carry out a series of simulations at the same time and output the stress and energy to one file?   Hao Chen
• [QE-users] two descriptions for pb0x keywords   Azadi, Sam
  • [QE-users] two descriptions for pb0x keywords   Paolo Giannozzi
• [QE-users] structural optimization   Fedaa Nada
  • [QE-users] structural optimization   Matthieu Fortin-Deschênes
• [QE-users] Calculating Potential Energy Profile   Dan Gil
  • [QE-users] Calculating Potential Energy Profile   Paolo Giannozzi
    • [QE-users] Calculating Potential Energy Profile   Stefano Baroni
      • [QE-users] Calculating Potential Energy Profile   Paolo Giannozzi
      • [QE-users] Calculating Potential Energy Profile   Dan Gil
• [QE-users] Issue with running parallel version of QE 6.3 on more than 16 cpu   Martina Lessio
  • [QE-users] Issue with running parallel version of QE 6.3 on more than 16 cpu   Paolo Giannozzi
    • [QE-users] Issue with running parallel version of QE 6.3 on more than 16 cpu   Martina Lessio
      • [QE-users] Issue with running parallel version of QE 6.3 on more than 16 cpu   Paolo Giannozzi
      • [QE-users] Issue with running parallel version of QE 6.3 on more than 16 cpu   Martina Lessio
      • [QE-users] Issue with running parallel version of QE 6.3 on more than 16 cpu   Paolo Giannozzi
      • [QE-users] Issue with running parallel version of QE 6.3 on more than 16 cpu   Martina Lessio
• [QE-users] Error while 'relax' calculations in QE v.5.2.0   Asad Mahmood
  • [QE-users] Error while 'relax' calculations in QE v.5.2.0   Paolo Giannozzi
    • [QE-users] Error while 'relax' calculations in QE v.5.2.0   Asad Mahmood
      • [QE-users] Error while 'relax' calculations in QE v.5.2.0   Paolo Giannozzi
      • [QE-users] Error while 'relax' calculations in QE v.5.2.0   Asad Mahmood
• [QE-users] Spin Polarized + Spin Orbit Coupling combined error   Asad Mahmood
  • [QE-users] Spin Polarized + Spin Orbit Coupling combined error   Asad Mahmood
• [QE-users] K resolved DOS   Asad Mahmood
• [QE-users] PWCOND: NAN/ SIGSEGV   Ankit Jain
  • [QE-users] PWCOND: NAN/ SIGSEGV   Subrata Jana
    • [QE-users] PWCOND: NAN/ SIGSEGV   Ankit Jain
• [QE-users] Doubt in ecutrho behavior   Lucas Nicolás Lodeiro Moraga

Last message date: Fri Aug 31 23:10:08 CEST 2018
Archived on: Fri Aug 31 23:09:29 CEST 2018

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