July 2024 Archives by author

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Starting: Mon Jul 1 15:44:09 CEST 2024
Ending: Wed Jul 31 08:27:30 CEST 2024
Messages: 70

[QE-users] [ DFT+U ] DOS for closed-shell systems Lucas Francisco Rodriguez Almeida
[QE-users] GPU version gives different result from CPU version Omar A. Ashour
[QE-users] Understanding the displacement vector given in pattern.xml files produced by ph.x Bushra Ashraf
[QE-users] Junior Research Fellow post available in the field of ab-initio excitons Sitangshu Bhattacharya
[QE-users] Errors of phonon calculations with DFT-D3 Ivan Carnimeo
[QE-users] GPU version gives different result from CPU version Ivan Carnimeo
[QE-users] Relaxation on LaTe3 Alejandro Lasso Castillo
[QE-users] PHonon regression Pietro Davide Delugas
[QE-users] [SPAM] Convergence problems Pietro Davide Delugas
[QE-users] Empty dynamical matrices files Pietro Davide Delugas
[QE-users] Incosistent energy contributions for 2D system Lenz Fiedler
[QE-users] Incosistent energy contributions for 2D system Lenz Fiedler
[QE-users] relax with assume_isolated='2D' Lucian D. Filip
[QE-users] dipole correction with assume isolated ESM Lucian D. Filip
[QE-users] dipole correction with assume isolated ESM Lucian D. Filip
[QE-users] Pencil decomposition Ghosh, Prasenjit
[QE-users] Empty dynamical matrices files Soham Ghosh
[QE-users] Empty dynamical matrices files Soham Ghosh
[QE-users] MPI error Paolo Giannozzi
[QE-users] big difference between scf fermi energy and nscf fermi energy Paolo Giannozzi
[QE-users] Incosistent energy contributions for 2D system Paolo Giannozzi
[QE-users] [SPAM] Convergence problems Janiny
[QE-users] big difference between scf fermi energy and nscf fermi energy Bhargab Kakati
[QE-users] Phonon calculation error. Gulshan Kumar
[QE-users] big difference between scf fermi energy and nscf fermi energy Yang Liu
[QE-users] Cholesky Decomposition Error Giuseppe Mattioli
[QE-users] hybrid pseudopotentials Giuseppe Mattioli
[QE-users] Cholesky Decomposition Error Antoine Moats
[QE-users] users Digest, Vol 204, Issue 18 Robinson Juma Musembi
[QE-users] Request for Guidance on HSE06 Hybrid Functional Calculations for Ag2O in Quantum ESPRESSO MOSES NTSIFUL
[QE-users] Error with cppp.x Anupriya Nyayban
[QE-users] dipole correction with assume isolated ESM Minoru Otani
[QE-users] Convergence issue of a 2x2x2 supercell with Ni (111) surface Suraj P
[QE-users] MPI error Suraj P
[QE-users] users Digest, Vol 204, Issue 12 Suraj P
[QE-users] Problem with restart_mode='restart' Suraj P
[QE-users] [SPAM] Re: Problem with restart_mode='restart' Suraj P
[QE-users] Pencil decomposition Suraj P
[QE-users] Issue with NiO Band Structure Alignment Using Hubbard Correction Lorenzo Paulatto
[QE-users] Issue with NiO Band Structure Alignment Using Hubbard Correction Lorenzo Paulatto
[QE-users] Empty dynamical matrices files Lorenzo Paulatto
[QE-users] MPI error Lorenzo Paulatto
[QE-users] MPI error Lorenzo Paulatto
[QE-users] Problem with restart_mode='restart' Lorenzo Paulatto
[QE-users] [SPAM] Re: Problem with restart_mode='restart' Lorenzo Paulatto
[QE-users] Issue with NiO Band Structure Alignment Using Hubbard Correction Lorenzo Paulatto
[QE-users] hybrid pseudopotentials Matic Poberznik
[QE-users] Request for Guidance on HSE06 Hybrid Functional Calculations for Ag2O in Quantum ESPRESSO Simon Imanuel Rombauer
[QE-users] Issue with NiO Band Structure Alignment Using Hubbard Correction NAIMI SALMA
[QE-users] Issue with NiO Band Structure Alignment Using Hubbard Correction NAIMI SALMA
[QE-users] Issue with NiO Band Structure Alignment Using Hubbard Correction NAIMI SALMA
[QE-users] Issue with NiO Band Structure Alignment Using Hubbard Correction NAIMI SALMA
[QE-users] Issue with NiO Band Structure Alignment Using Hubbard Correction NAIMI SALMA
[QE-users] How to generate average structure from an MD simulation? Md. Jahid Hasan Sagor
[QE-users] Fatal error in PMPI_Comm_free: Invalid communicator Md. Jahid Hasan Sagor
[QE-users] Supercell for big G-type antiferromagnetic unit cell Tarek
[QE-users] Query about porting QE on Ponte Vecchio architecture Ruben Oscar WEHT
[QE-users] GPU version gives different result from CPU version Shimin ZHANG
[QE-users] [SPAM] Re: GPU version gives different result from CPU version Shimin ZHANG
[QE-users] [SPAM] Re: GPU version gives different result from CPU version Shimin ZHANG
[QE-users] Internal error, cannot bracket Ef in adsorption calculation a.pramos
[QE-users] Coordination numbers algorithm anne etindele
[QE-users] Errors of phonon calculations with DFT-D3 jibiaoli
[QE-users] (no subject) fatemeh mahmudi
[QE-users] Matdyn.x bands with negative frequency after a ph.x calculation Martino Napoli - martino.napoli at studio.unibo.it
[QE-users] users Digest, Vol 203, Issue 22 sjang at sejong.edu
[QE-users] About a buffer overflow problem ky78maxi at studserv.uni-leipzig.de
[QE-users] hybrid pseudopotentials dlduran at uco.es
[QE-users] hybrid pseudopotentials dlduran at uco.es
[QE-users] Convergence criterion of maximally localized Wannier function. 임용식

Last message date: Wed Jul 31 08:27:30 CEST 2024
Archived on: Wed Jul 31 08:27:11 CEST 2024

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