October 2021 Archives by author

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Starting: Fri Oct 1 10:03:22 CEST 2021
Ending: Sat Oct 30 12:56:09 CEST 2021
Messages: 130

[QE-users] EPW error >> Error in routine createkmap (1): q-vec not commensurate 4120109024李晨纲
[QE-users] How to read the epw.out file when calculating Hall mobility of EPW？ 4120109024李晨纲
[QE-users] Fwd: Munawar Ali
[QE-users] Stress in hybrid functional calculations Audrius Alkauskas
[QE-users] Q-MS School on Multiscale Modeling with Quantum Espresso Andreussi, Oliviero
[QE-users] Thomas-Fermi wave vector Andrew
[QE-users] Immediate segfault in pw.x when compiled on SGI machine Nikolas Antolin
[QE-users] Immediate segfault in pw.x when compiled on SGI machine Nikolas Antolin
[QE-users] BSE on top of hybrid calculation Stefano Baroni
[QE-users] Regarding projected density of state Stefano Baroni
[QE-users] Regarding projected density of state Stefano Baroni
[QE-users] 20th USPEX workshop (ONLINE) Vladimir Baturin
[QE-users] Computational calculation of M o F Bilal Ahmad Bhat
[QE-users] 02 Fully funded (including international travels) PhD positions under me in the area of density functional theory Sitangshu Bhattacharya
[QE-users] Stress in hybrid functional calculations Bidault, Xavier
[QE-users] Nvidia A100 / Possible implementation Chiara Biz
[QE-users] [QE-GPU] How to "Fill the CPU with OpenMP threads" to run QE-GPU Pietro Bonfa'
[QE-users] [QE-GPU] How to "Fill the CPU with OpenMP threads" to run QE-GPU Pietro Bonfa'
[QE-users] unexpected compilation error QE 6.8 Pietro Bonfa'
[QE-users] GIPAW crashes with nspin=2 Davide Ceresoli
[QE-users] scf of orthorhombic structure Davide Ceresoli
[QE-users] change lattice constant for orthorhombic structure Davide Ceresoli
[QE-users] positive total energy for the bulk phase Ho2WO6 Andrey Chibisov
[QE-users] Compiling QE6.8 with OneAPI LEUNG Clarence
[QE-users] Compiling QE6.8 with OneAPI LEUNG Clarence
[QE-users] Compiling QE6.8 with OneAPI LEUNG Clarence
[QE-users] Hubbard-U QE vs VASP Matteo Cococcioni
[QE-users] Negative pressure convention Matteo Cococcioni
[QE-users] External forces energy Ronald Cohen
[QE-users] DF2 with non-collinear spin Ronald Cohen
[QE-users] DF2 with non-collinear spin Ronald Cohen
[QE-users] External forces energy Pietro Davide Delugas
[QE-users] Nvidia A100 / Possible implementation Pietro Davide Delugas
[QE-users] GIPAW crashes with nspin=2 Paolo Giannozzi
[QE-users] QE 6.8: compilation error in force_hub_gpu.f90 Paolo Giannozzi
[QE-users] Default value ortho_max Paolo Giannozzi
[QE-users] Immediate segfault in pw.x when compiled on SGI machine Paolo Giannozzi
[QE-users] where is my lowdin.txt.... Paolo Giannozzi
[QE-users] Stress in hybrid functional calculations Paolo Giannozzi
[QE-users] Immediate segfault in pw.x when compiled on SGI machine Paolo Giannozzi
[QE-users] Catastrophic compilation errors of QE 6.8 Paolo Giannozzi
[QE-users] Catastrophic compilation errors of QE 6.8 Paolo Giannozzi
[QE-users] Compiling QE6.8 with OneAPI Paolo Giannozzi
[QE-users] Hubbard-U QE vs VASP Jhon Gonzalez
[QE-users] Reg: conversion of HOMO-LUMO gap to resistance Gorthala Guruprasad
[QE-users] Plotting Molecular Orbitals for Different spins at same K point. Shihab Haque
[QE-users] BSE on top of hybrid calculation Rituparna Hazarika
[QE-users] Phonons on a flat potential energy surface Antoine Jay
[QE-users] Phonons on a flat potential energy surface Antoine Jay
[QE-users] Phonons on a flat potential energy surface Tamas Karpati
[QE-users] Catastrophic compilation errors of QE 6.8 Jibiao Li
[QE-users] Catastrophic compilation errors of QE 6.8 Jibiao Li
[QE-users] GIPAW crashes with nspin=2 E. Lora
[QE-users] Plane-wave expansion coefficient and corresponding reciprocal lattice vector (G) Hongyang Ma
[QE-users] Two posdoctoral openings - Wannier/Hubbard/Koopmans Nicola Marzari
[QE-users] Computational calculation of M o F Giuseppe Mattioli
[QE-users] Regarding projected density of state Giuseppe Mattioli
[QE-users] Orbital specific bands Giuseppe Mattioli
[QE-users] Regarding projected density of state Giuseppe Mattioli
[QE-users] unexpected compilation error QE 6.8 Giuseppe Mattioli
[QE-users] unexpected compilation error QE 6.8 Giuseppe Mattioli
[QE-users] seeking hints for nscf convergence in supercell Giuseppe Mattioli
[QE-users] Sub Orbital Order in PDOS Giuseppe Mattioli
[QE-users] seeking hints for nscf convergence in supercell Giuseppe Mattioli
[QE-users] Phonons on a flat potential energy surface Lorenzo Monacelli
[QE-users] scf of orthorhombic structure Kazume NISHIDATE
[QE-users] Turbo_eels.x crashing Elio Physics
[QE-users] Turbo_eels.x crashing Elio Physics
[QE-users] Turbo_eels.x crashing Elio Physics
[QE-users] Turbo_eels.x crashing Elio Physics
[QE-users] Turbo_eels.x crashing Elio Physics
[QE-users] Turbo_eels.x crashing Elio Physics
[QE-users] Turbo_eels.x crashing Elio Physics
[QE-users] Turbo_eels.x crashing Elio Physics
[QE-users] Error using turbo_spectrum.x Elio Physics
[QE-users] Error using turbo_spectrum.x Elio Physics
[QE-users] Error using turbo_spectrum.x Elio Physics
[QE-users] How to get piezoelectric response? Ashas Quazi
[QE-users] Coupling lammps and QE. Qmmm package MR. S D V S S VARMA SIRUVURI
[QE-users] Calculation error Quantum Espresso 6.7 Akash Saxena
[QE-users] users Digest, Vol 171, Issue 20 Akash Saxena
[QE-users] Restart NEB with CI returns zeroed forces Schwarz Dr., Paul (FTI)
[QE-users] where is my lowdin.txt.... Schön, Carl-Friedrich
[QE-users] Fwd: Fictitious kinetic energy of electrons Mahmoud Payami Shabestari
[QE-users] Default value ortho_max Mahmoud Payami Shabestari
[QE-users] QE 6.8: compilation error in force_hub_gpu.f90 Mahmoud Payami Shabestari
[QE-users] Hubbard-U QE vs VASP Mahmoud Payami Shabestari
[QE-users] Hubbard-U QE vs VASP Mahmoud Payami Shabestari
[QE-users] Calculation error Quantum Espresso 6.7 Mahmoud Payami Shabestari
[QE-users] Hubbard U+V for a large system Andrii Shyichuk
[QE-users] Turbo_eels.x crashing Iurii TIMROV
[QE-users] Turbo_eels.x crashing Iurii TIMROV
[QE-users] Turbo_eels.x crashing Iurii TIMROV
[QE-users] Turbo_eels.x crashing Iurii TIMROV
[QE-users] Turbo_eels.x crashing Iurii TIMROV
[QE-users] Turbo_eels.x crashing Iurii TIMROV
[QE-users] Hubbard-U QE vs VASP Iurii TIMROV
[QE-users] GIPAW crashes with nspin=2 Iurii TIMROV
[QE-users] Hubbard U+V for a large system Iurii TIMROV
[QE-users] Hubbard U+V for a large system Iurii TIMROV
[QE-users] Error using turbo_spectrum.x Iurii TIMROV
[QE-users] Error using turbo_spectrum.x Iurii TIMROV
[QE-users] QE LDA+U+SOC converge and Error in routine read_scf (1):Reading ldaU ns Hong Tang
[QE-users] [QE-GPU] How to "Fill the CPU with OpenMP threads" to run QE-GPU Anson Thomas
[QE-users] [QE-GPU] How to "Fill the CPU with OpenMP threads" to run QE-GPU Anson Thomas
[QE-users] [QE-GPU] How to "Fill the CPU with OpenMP threads" to run QE-GPU Anson Thomas
[QE-users] Hubbard U+V for a large system Johannes Meusburger - STFC UKRI
[QE-users] BSE on top of hybrid calculation Daniele Varsano
[QE-users] scf of orthorhombic structure Pooja Vyas
[QE-users] scf of orthorhombic structure Pooja Vyas
[QE-users] scf of orthorhombic structure Pooja Vyas
[QE-users] scf of orthorhombic structure Pooja Vyas
[QE-users] change lattice constant for orthorhombic structure Pooja Vyas
[QE-users] scf of orthorhombic structure Pooja Vyas
[QE-users] change lattice constant for orthorhombic structure Pooja Vyas
[QE-users] QE 6.8: compilation error in force_hub_gpu.f90 Christoph Wolf
[QE-users] QE 6.8: compilation error in force_hub_gpu.f90 Christoph Wolf
[QE-users] where is my lowdin.txt.... Christoph Wolf
[QE-users] seeking hints for nscf convergence in supercell patrizio.graziosi at cnr.it
[QE-users] seeking hints for nscf convergence in supercell patrizio.graziosi at cnr.it
[QE-users] GIPAW crashes with nspin=2 estelina.silva at fc.up.pt
[QE-users] Negative pressure convention valeria arteaga muñiz
[QE-users] EPW error >> Error in routine createkmap (1): q-vec not commensurate pboulet
[QE-users] Regarding projected density of state Satyasiban Dash ph19d005
[QE-users] Orbital specific bands Satyasiban Dash ph19d005
[QE-users] Sub Orbital Order in PDOS Satyasiban Dash ph19d005
[QE-users] Application of electric field and its effect on ldos Satyasiban Dash ph19d005
[QE-users] Application of electric field Satyasiban Dash ph19d005
[QE-users] Probleme in plot bands structure for my material ahmad taha
[QE-users] Abnormal stopping in phonon calaculations in ph.x 王绍菲

Last message date: Sat Oct 30 12:56:09 CEST 2021
Archived on: Sat Oct 30 12:56:08 CEST 2021

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