September 2018 Archives by author

Messages sorted by: [ thread ] [ subject ] [ date ]
More info on this list...

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

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

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

Messages sorted by: [ thread ] [ subject ] [ date ]
More info on this list...

This archive was generated by Pipermail 0.09 (Mailman edition).