April 2023 Archives by date

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

Starting: Sat Apr 1 18:25:03 CEST 2023
Ending: Fri Apr 28 13:18:12 CEST 2023
Messages: 78

[QE-users] [SPAM] Calculate optical properties with Ultrasoft PPs José Xavier
[QE-users] [SPAM] Calculate optical properties with Ultrasoft PPs Iurii TIMROV
[QE-users] Coordinates of LDOS evaluation Brzoza, Bartosz
[QE-users] info about eigenvectors with matdyn patrizio.graziosi at cnr.it
[QE-users] About CI-NEB job and how to go on after that Tom Demeyere
[QE-users] Confidential email from lplokijuhygt lplokijuhygt at tutanota.com
[QE-users] Problems with scf calculation in qe 7.1 and 7.2 lplokijuhygt at tutanota.com
[QE-users] Problems with scf calculation in qe 7.1 and 7.2 Paolo Giannozzi
[QE-users] Problems with scf calculation in qe 7.1 and 7.2 lplokijuhygt at tutanota.com
[QE-users] Phonon dispersion plot with ASR tag 'simple' and 'crystal' Zimmi Singh
[QE-users] Phonon calculations BOUAFIA HAMZA
[QE-users] Phonon calculations Lorenzo Paulatto
[QE-users] RE : Phonon calculations BOUAFIA HAMZA
[QE-users] Hydrogen atom pseudopotential files with q=1.25e and q=0.75e (PBE, USPP) GOKHAN HASEKI
[QE-users] davcio error in phonon restart zhouchao
[QE-users] About the calculation of dielectric function by using QE package PURINUT SAE-FU
[QE-users] About the calculation of dielectric function by using QE package Simon Imanuel Rombauer
[QE-users] About the calculation of dielectric function by using QE package Lorenzo Bastonero
[QE-users] [Spam:]Re: About the calculation of dielectric function by using QE package Lorenzo Paulatto
[QE-users] About the calculation of dielectric function by using QE package PURINUT SAE-FU
[QE-users] About the calculation of dielectric function by using QE package PURINUT SAE-FU
[QE-users] Query regarding ecutfock Arini Kar
[QE-users] Fwd: error in routine check atoms(1) SPPU/05097P/2021 OYOMO BILL C
[QE-users] R: Hydrogen atom pseudopotential files with q=1.25e and q=0.75e (PBE, USPP) Pietro Davide Delugas
[QE-users] Query regarding ecutfock Lorenzo Bastonero
[QE-users] R: Fwd: error in routine check atoms(1) Pietro Davide Delugas
[QE-users] Query regarding ecutfock Arini Kar
[QE-users] Query regarding ecutfock Lorenzo Bastonero
[QE-users] NVT variable cell dynamics - protocol and issues Manuel Pérez Escribano
[QE-users] QE-7.1 and ELPA version Alireza Ghasemi
[QE-users] QE-7.1 and ELPA version Paolo Giannozzi
[QE-users] PBE0 hybrid functional calculation: Error in routine vcut_init (1): non-orthorombic case untested jiale shen
[QE-users] PBE0 hybrid functional calculation: Error in routine vcut_init (1): non-orthorombic case untested Paolo Giannozzi
[QE-users] QE-7.1 and ELPA version Alireza Ghasemi
[QE-users] QE-7.1 and ELPA version Paolo Giannozzi
[QE-users] Hubbard Parameters Calculation Victor Odari
[QE-users] Band.x error anandkj21 at iitk.ac.in
[QE-users] Hubbard Parameters Calculation Iurii TIMROV
[QE-users] Finding the optimal parallelization parameters Léon Luntadila Lufungula
[QE-users] Effective mass and the unit of k Ramesh Kumar Kamadurai
[QE-users] Hubbard Parameters Calculation Victor Odari
[QE-users] pw.x job stops before scf cycle fabrizio.silveri at gemmate-technologies.com
[QE-users] Lowdin charges - how to interpret? Xavier Xavier
[QE-users] [Webinar] “AI-driven search for functional materials: symbolic inference in catalysis” Dr.Mosab Banisalman
[QE-users] QE-GPU and libxc compile error Michele Re Fiorentin
[QE-users] 回复: Effective mass and the unit of k jiale shen
[QE-users] QE-GPU and libxc compile error Lorenzo Bastonero
[QE-users] QE-GPU and libxc compile error Michele Re Fiorentin
[QE-users] QE-GPU and libxc compile error Fabrizio Ferrari Ruffino
[QE-users] Advanced Quantum ESPRESSO school: Hubbard and Koopmans functionals from linear response Iurii TIMROV
[QE-users] [SPAM] Dielectric function and absorption with Lanczos José Xavier
[QE-users] Fail to download pseudopotential for test-suite on Mac. 張瀚文
[QE-users] Fail to download pseudopotential for test-suite on Mac. Husak Michal
[QE-users] Fail to download pseudopotential for test-suite on Mac. Han-wen, Chang
[QE-users] divergence of chi in HP code Mpayami
[QE-users] [SPAM] Dielectric function and absorption with Lanczos Iurii TIMROV
[QE-users] divergence of chi in HP code Mpayami
[QE-users] Convergence problems of NMC85% (LiNi_{0.85}Mn_{0.1}Co_{0.05}O_{2}) Marcelo Albuquerque
[QE-users] [SPAM] Re: Dielectric function and absorption with Lanczos José Xavier
[QE-users] Graphene - Relativistic Calculations - Getting Generic Error Matthew Trippy
[QE-users] Convergence problems of NMC85% (LiNi_{0.85}Mn_{0.1}Co_{0.05}O_{2}) pboulet
[QE-users] Dielectric function and absorption with Lanczos Iurii TIMROV
[QE-users] Dielectric function and absorption with Lanczos José Xavier
[QE-users] Graphene - Relativistic Calculations - Getting Generic Error Paolo Giannozzi
[QE-users] how to assign occupations of every k-point in quantum espresso 时若晨
[QE-users] NEB: Atoms do not get relaxed Ari P Seitsonen
[QE-users] NEB: Atoms do not get relaxed Giuseppe Mattioli
[QE-users] NEB: Atoms do not get relaxed Ari P Seitsonen
[QE-users] Parallelization nscf calculation Francesco Delodovici
[QE-users] BEEF: ensemble_energies keyword not recognised? Tom Demeyere
[QE-users] BEEF: ensemble_energies keyword not recognised? Paolo Giannozzi
[QE-users] Parallelization nscf calculation Paolo Giannozzi
[QE-users] NEB: Atoms do not get relaxed Ari P Seitsonen
[QE-users] NEB: Atoms do not get relaxed Giuseppe Mattioli
[QE-users] onvert SDF file to xxx.scf.in tomohisa.ogawa at tel.com
[QE-users] QE 7.2: performance degradation for isolated systems? Tom Demeyere
[QE-users] QE 7.2: performance degradation for isolated systems? Paolo Giannozzi
[QE-users] QE 7.2: performance degradation for isolated systems? Tom Demeyere

Last message date: Fri Apr 28 13:18:12 CEST 2023
Archived on: Fri Apr 28 13:18:25 CEST 2023

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

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