September 2025 Archives by author

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Starting: Mon Sep 1 05:49:57 CEST 2025
Ending: Tue Sep 30 18:46:20 CEST 2025
Messages: 58

[QE-users] the number of k points in output file is different with that in input file SIDDHARTH SASTRI .
[QE-users] setting in d3_tk.x input file Annam, Roshan Sameer
[QE-users] Casimir scattering Annam, Roshan Sameer
[QE-users] High-symmetry path in bands.x differs from K_POINTS input Vahid Askarpour
[QE-users] High-symmetry path in bands.x differs from K_POINTS input Vahid Askarpour
[QE-users] NEB calculation imane BEZZAOUI
[QE-users] NEB convergence imane BEZZAOUI
[QE-users] NEB calculation to investigate the energy barrier IMANE BEZZAOUI
[QE-users] NEB calculation to investigate the energy barrier IMANE BEZZAOUI
[QE-users] Question on using bands.x with nspin=2 and total_magnetization=1 Rameswar Bhattacharjee
[QE-users] Question on using bands.x with nspin=2 and total_magnetization=1 Rameswar Bhattacharjee
[QE-users] Question on using bands.x with nspin=2 and total_magnetization=1 Rameswar Bhattacharjee
[QE-users] Question on using bands.x with nspin=2 and total_magnetization=1 Rameswar Bhattacharjee
[QE-users] Add molecules in the metal slab TUBAI CHOWDHURY
[QE-users] High-symmetry path in bands.x differs from K_POINTS input Giovanni Cantele
[QE-users] QE-input file clarification Giovanni Cantele
[QE-users] QE-input file clarification Giovanni Cantele
[QE-users] Can phonon calculations be done on a GPU? Ivan Carnimeo
[QE-users] the number of k points in output file is different with that in input file Pietro Davide Delugas
[QE-users] NEB under lelfield Pietro Davide Delugas
[QE-users] NEB under lelfield Pietro Davide Delugas
[QE-users] Question on using bands.x with nspin=2 and total_magnetization=1 Pietro Davide Delugas
[QE-users] Question on using bands.x with nspin=2 and total_magnetization=1 Pietro Davide Delugas
[QE-users] Question on using bands.x with nspin=2 and total_magnetization=1 Pietro Davide Delugas
[QE-users] Question on using bands.x with nspin=2 and total_magnetization=1 Pietro Davide Delugas
[QE-users] QE-input file clarification Jodan Ebaya
[QE-users] QE-input file clarification Jodan Ebaya
[QE-users] Re-QE input file clarification Jodan Ebaya
[QE-users] Re-QE input file clarification Cavus Falamaki
[QE-users] Clarification on the Atomic Coordinate System in Geometry Relaxation Paolo Giannozzi
[QE-users] Out of Memory on GPU cluster with SOC Paolo Giannozzi
[QE-users] Wavefunctions not readable from SCF in band structure calculation Paolo Giannozzi
[QE-users] Out of Memory on GPU cluster with SOC Christian Kern
[QE-users] Fw: Vc-relax file is keep on running Gulshan Kumar
[QE-users] Fw: Vc-relax file is keep on running Gulshan Kumar
[QE-users] Wavefunctions not readable from SCF in band structure calculation Sergio Correal Lopez
[QE-users] Wavefunctions not readable from SCF in band structure calculation Shivam Maharaj
[QE-users] QE-input file clarification Nicola Marzari
[QE-users] VACUUM POTENTIAL NOT ZERO CALULATION Barsha Pal
[QE-users] VACUUM POTENTIAL NOT ZERO CALULATION Lorenzo Paulatto
[QE-users] Does max value of k points in BZ change based on sampling? Md Jahid Hasan Sagor
[QE-users] Does max value of k points in BZ change based on sampling? Md Jahid Hasan Sagor
[QE-users] Convergence problems - CeO2 slab (3x3) Guilherme Perez Slompo
[QE-users] Fw: Vc-relax file is keep on running Monika Srivastava
[QE-users] Vc-relax file is keep on running Monika Srivastava
[QE-users] Structure Relaxation on Charged System Smearing Convergence Question Tang, Weilun [M S E]
[QE-users] Center of mass motion when starting velocities are read from input Valentina Tozzini
[QE-users] NEB under lelfield Masahito YOSHINO
[QE-users] NEB under lelfield Masahito YOSHINO
[QE-users] NEB under lelfield Masahito YOSHINO
[QE-users] Clarification on the Atomic Coordinate System in Geometry Relaxation erik.hansen at dlr.de
[QE-users] Clarification on the Atomic Coordinate System in Geometry Relaxation erik.hansen at dlr.de
[QE-users] Installation error of qe-7.5 jibiaoli
[QE-users] High-symmetry path in bands.x differs from K_POINTS input wenusaras
[QE-users] High-symmetry path in bands.x differs from K_POINTS input wenusaras
[QE-users] Can phonon calculations be done on a GPU? 半城烟沙
[QE-users] Can phonon calculations be done on a GPU? 半城烟沙
[QE-users] How to calculate the Dynamical quadrupoles in the qe v7.5? 半城烟沙

Last message date: Tue Sep 30 18:46:20 CEST 2025
Archived on: Tue Sep 30 18:45:57 CEST 2025

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