September 2018 Archives by thread

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Starting: Sat Sep 1 13:04:42 CEST 2018
Ending: Sun Sep 30 18:54:56 CEST 2018
Messages: 148

• [QE-users] Spin Polarized + Spin Orbit Coupling combined error   Lorenzo Paulatto
  • [QE-users] Spin Polarized + Spin Orbit Coupling combined error   Asad Mahmood
    • [QE-users] Spin Polarized + Spin Orbit Coupling combined error   Lorenzo Paulatto
• [QE-users] Spin Polarized + Spin Orbit Coupling combined   Christoph Wolf
• [QE-users] [SUSPECT ATTACHMENT REMOVED] Re: PWCOND: NAN/ SIGSEGV   Holzwarth, Natalie
  • [QE-users] [SUSPECT ATTACHMENT REMOVED] Re: PWCOND: NAN/ SIGSEGV   Paolo Giannozzi
• [QE-users] electric field   Sabike Ghasemi
  • [QE-users] electric field   Sabike Ghasemi
    • [QE-users] electric field   Stefano Baroni
      • [QE-users] electric field   Sabike Ghasemi
      • [QE-users] electric field   Stefano Baroni
      • [QE-users] electric field   Sabike Ghasemi
• [QE-users] calculation in QE   Мищенко В.Н.
• [QE-users] Increasing NSX variable   Chandler Bennett
  • [QE-users] Increasing NSX variable   Paolo Giannozzi
• [QE-users] geometry outimization under finite homogeneous electric field   Maxim Arsentev
• [QE-users] Calculating Potential Energy Profile   Christoph Wolf
• [QE-users] Quantum Espresso on Amazon Web Services   Uri Argaman
  • [QE-users] Quantum Espresso on Amazon Web Services   Giovanni Pizzi
  • [QE-users] Quantum Espresso on Amazon Web Services   Minho Lee
• [QE-users] tefield   Sabike Ghasemi
• [QE-users] cannot read data from "outdir", pw_berry test failing   Michal Krompiec
  • [QE-users] cannot read data from "outdir", pw_berry test failing   Paolo Giannozzi
    • [QE-users] cannot read data from "outdir", pw_berry test failing   Michal Krompiec
• [QE-users] Pseudopotentials   Zacharias Fthenakis
  • [QE-users] Pseudopotentials   Paolo Giannozzi
  • [QE-users] Pseudopotentials   Hari Paudyal
    • [QE-users] Pseudopotentials   Dr. K. C. Bhamu
      • [QE-users] Pseudopotentials   Zacharias Fthenakis
• [QE-users] Issue with optimization   Fedaa Nada
  • [QE-users] Issue with optimization   Paolo Giannozzi
• [QE-users] Meta-GGA not implemented with USPP/PAW   Michal Krompiec
  • [QE-users] Meta-GGA not implemented with USPP/PAW   Ari P Seitsonen
  • [QE-users] Meta-GGA not implemented with USPP/PAW   Paolo Giannozzi
    • [QE-users] Meta-GGA not implemented with USPP/PAW   Michal Krompiec
• [QE-users] (no subject)   문태환
  • [QE-users] (no subject)   Minho Lee
    • [QE-users] (no subject)   문태환
      • [QE-users] (no subject)   Minho Lee
      • [QE-users] (no subject)   문태환
      • [QE-users] Van der Waals with LDA functional   JAY Antoine
      • [QE-users] Van der Waals with LDA functional   Stefano Baroni
      • [QE-users] Van der Waals with LDA functional   Hande Toffoli
  • [QE-users] (no subject)   Sabike Ghasemi
• [QE-users] Addition of an electron.   Andrey Chibisov
  • [QE-users] Addition of an electron.   jibiaoli
  • [QE-users] Addition of an electron.   大谷実
    • [QE-users] Addition of an electron.   Yue-Wen Fang
      • [QE-users] Addition of an electron.   Paolo Giannozzi
• [QE-users] Materials Cloud is now a recommended repository of Nature Research’s Scientific Data   Giovanni Pizzi
• [QE-users] GIPAW Segmentation Fault   Ben Comer
• [QE-users] Weight for q-points   Artur Durajski
• [QE-users] problem in relaxtion   Gui Wei
• [QE-users] Convergence and the "dual": norm-conserving vs PAW   Christoph Wolf
  • [QE-users] Convergence and the "dual": norm-conserving vs PAW   Nicola Marzari
    • [QE-users] Convergence and the "dual": norm-conserving vs PAW   Christoph Wolf
• [QE-users] data-file.xml not generated in outdir   Michal Krompiec
  • [QE-users] data-file.xml not generated in outdir   Pietro Davide Delugas
    • [QE-users] data-file.xml not generated in outdir   Michal Krompiec
• [QE-users] Z2 topological invariant   Asad Mahmood
  • [QE-users] Z2 topological invariant   Marco Polo
• [QE-users] error in band calculation Error in routine read_wfc   venkatesh chandragiri
  • [QE-users] error in band calculation Error in routine read_wfc   Pietro Delugas
  • [QE-users] error in band calculation Error in routine read_wfc   venkatesh chandragiri
• [QE-users] Test suite pw_vdw - xdm.in: FAILED   Daniel Ortiz Gutierrez
  • [QE-users] Test suite pw_vdw - xdm.in: FAILED   Pietro Delugas
    • [QE-users] Test suite pw_vdw - xdm.in: FAILED   Daniel Ortiz Gutierrez
      • [QE-users] Test suite pw_vdw - xdm.in: FAILED   Lorenzo Paulatto
      • [QE-users] Test suite pw_vdw - xdm.in: FAILED   Paolo Giannozzi
      • [QE-users] Test suite pw_vdw - xdm.in: FAILED   Pietro Delugas
• [QE-users] Using charge density from previous calculation as starting point for different k-point grid   Pietro Delugas
• [QE-users] Ecutwfc and ecutrho   Carina Backtorp
  • [QE-users] Ecutwfc and ecutrho   Stefano Baroni
• [QE-users] symmetry error in phonon output file   Anindya Bose
  • [QE-users] symmetry error in phonon output file   Paolo Giannozzi
    • [QE-users] symmetry error in phonon output file   Anindya Bose
      • [QE-users] symmetry error in phonon output file   Stefano Baroni
• [QE-users] QE 6.3 CPU and WALL time   Michele Re Fiorentin
  • [QE-users] QE 6.3 CPU and WALL time   Paolo Giannozzi
• [QE-users] Primitive and conventional unit cell   Carina Backtorp
  • [QE-users] Primitive and conventional unit cell   Stefano Baroni
• [QE-users] problems computing cholesky   Punit Kumar
  • [QE-users] problems computing cholesky   Giuseppe Mattioli
• [QE-users] What makes the "local ionic potential V_bare" local?   Miguel Rivera
  • [QE-users] What makes the "local ionic potential V_bare" local?   Stefano Baroni
• [QE-users] Keep the symmetry during a calculation   Carina Backtorp
  • [QE-users] Keep the symmetry during a calculation   Paolo Giannozzi
    • [QE-users] Keep the symmetry during a calculation   Carina Backtorp
      • [QE-users] Keep the symmetry during a calculation   Giuseppe Mattioli
      • [QE-users] Keep the symmetry during a calculation   Paolo Giannozzi
• [QE-users] Error in nscf calculation   Mirwaiz Rahaman
  • [QE-users] Error in nscf calculation   Pietro Delugas
• [QE-users] Error in nscf calculation (Pietro Delugas)   Mirwaiz Rahaman
  • [QE-users] Error in nscf calculation (Pietro Delugas)   Pietro Delugas
• [QE-users] hybrid HSE much more stable convergence with PAW than NC   Christoph Wolf
  • [QE-users] hybrid HSE much more stable convergence with PAW than NC   Paolo Giannozzi
• [QE-users] Relax Calculation anomalous result   Asad Mahmood
  • [QE-users] Relax Calculation anomalous result   Thomas Brumme
    • [QE-users] Relax Calculation anomalous result   Asad Mahmood
• [QE-users] QE 6.2 "data-file-schema.xml" conversion   Josip Jakovac
  • [QE-users] QE 6.2 "data-file-schema.xml" conversion   Paolo Giannozzi
    • [QE-users] QE 6.2 "data-file-schema.xml" conversion   Josip Jakovac
• [QE-users] abc graphene   Sabike Ghasemi
• [QE-users] error in scf calculation   Mirwaiz Rahaman
  • [QE-users] error in scf calculation   Paolo Giannozzi
• [QE-users] Wrong 1pi orbitals from QE calculations   jibiaoli
  • [QE-users] Wrong 1pi orbitals from QE calculations   Lorenzo Paulatto
• [QE-users] Information regarding a2f calculation using tetrahedra method   Anindya Bose
• [QE-users] Is it possible to self-define nuclear charge for a pseudopotential?   Jingyang Wang
• [QE-users] CPMD - Quench Wave Function on the Fly   Nam Tran
• [QE-users] temperature PWscf   Emerson Souza
• [QE-users] Problem with the order of introducing atoms   Mohammad Alidoosti
  • [QE-users] Problem with the order of introducing atoms   Fariba Nazari
  • [QE-users] Problem with the order of introducing atoms   Paolo Giannozzi
• [QE-users] Error in ph.x: wrong representation   Noé Mascello
  • [QE-users] Error in ph.x: wrong representation   Paolo Giannozzi
    • [QE-users] Error in ph.x: wrong representation   Noé Mascello
      • [QE-users] Error in ph.x: wrong representation   Paolo Giannozzi
      • [QE-users] Error in ph.x: wrong representation   Noé Mascello
• [QE-users] OpenFabrics (openib) BTL failed to initialize   Sai Pavan Chitta
• [QE-users] unable to open the output file of vc relax in xcrysden while performing calculation for slab   Priyanka Makkar
  • [QE-users] unable to open the output file of vc relax in xcrysden while performing calculation for slab   Hari Paudyal
• [QE-users] Wannier90   Ubaid Mohd
• [QE-users] Is it possible to compute spin Hall conductivity using Quantum Espresso and Wannier90 interface?   Sayantika Bhowal
• [QE-users] Need real space Kohn-Sham orbitals   Manoar Hossain
• [QE-users] Problem when running bands.x   Aziz Fall
• [QE-users] Finding Parity of Different Bands in Topological Insulator   Asad Mahmood
  • [QE-users] Finding Parity of Different Bands in Topological Insulator   Asad Mahmood
    • [QE-users] Finding Parity of Different Bands in Topological Insulator   Asad Mahmood
• [QE-users] SCAN meta-GGA : error   Nnanna Ukoji
  • [QE-users] SCAN meta-GGA : error   Lorenzo Paulatto
    • [QE-users] SCAN meta-GGA : error   Paolo Giannozzi
• [QE-users] K path of supercell   Priya Shrivastava
  • [QE-users] K path of supercell   Giuseppe Mattioli
    • [QE-users] K path of supercell   Stefano Baroni
  • [QE-users] K path of supercell   Priya Shrivastava
• [QE-users] difference between parallel system and single laptop   Seyed Hamid Reza Shojaei
• [QE-users] Relax caculation not completed   Gui Wei
  • [QE-users] Relax caculation not completed   Lorenzo Paulatto
• [QE-users] about nstep in thermo pw   Sathya Perumal
• [QE-users] Difficulty with convergence using tefield   Alex.Durie
  • [QE-users] Difficulty with convergence using tefield   Lorenzo Paulatto
  • [QE-users] Difficulty with convergence using tefield   Alex.Durie
    • [QE-users] Difficulty with convergence using tefield   Dr. Thomas Brumme
    • [QE-users] Difficulty with convergence using tefield   Lorenzo Paulatto
• [QE-users] phonon calculation in QE   Мищенко В.Н.
  • [QE-users] phonon calculation in QE   Paolo Giannozzi
    • [QE-users] phonon calculation in QE   Мищенко В.Н.

Last message date: Sun Sep 30 18:54:56 CEST 2018
Archived on: Sun Sep 30 18:53:47 CEST 2018

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