Messages by Date
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2023/07/25
Re: [QE-users] pw.x malloc failed
Stefano Baroni
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2023/07/25
Re: [QE-users] pw.x malloc failed
Aziz Ogutlu
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2023/07/24
Re: [QE-users] Quantum Espresso installation problem-get Error from "make pw"
Paolo Giannozzi
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2023/07/24
Re: [QE-users] pw.x malloc failed
Paolo Giannozzi
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2023/07/24
[QE-users] Quantum Espresso installation problem-get Error from "make pw"
胡大展
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2023/07/24
[QE-users] pw.x malloc failed
Aziz Ogutlu
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2023/07/24
Re: [QE-users] Quantum Entanglement
Stefano Baroni
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2023/07/24
[QE-users] Quantum Entanglement
KRISHNENDU MUKHERJEE
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2023/07/23
Re: [QE-users] SCF Calculation Issue with PBE0 Functional
Kazume NISHIDATE
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2023/07/23
[QE-users] SCF Calculation Issue with PBE0 Functional
Rameswar Bhattacharjee
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2023/07/22
[QE-users] [SPAM] How to calculate dielectric constant \epsilon_0 using Quantum Espresso
a.n.filanovich
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2023/07/21
[QE-users] Error in ph.x (Error in routine set_irr_sym_new (2022): wrong representation)
Esmaeili via users
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2023/07/21
Re: [QE-users] Problem installing unfold.x
Paolo Giannozzi
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2023/07/21
[QE-users] Procedure for relaxation of antiferromagnetic Mn3Ir
Vahid Askarpour
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2023/07/21
Re: [QE-users] Problem installing unfold.x
Paulina Jureczko
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2023/07/19
Re: [QE-users] Quantum Espresso v7.2 installation
Lorenzo Paulatto
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2023/07/19
[QE-users] Quantum Espresso v7.2 installation
gang . yang
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2023/07/18
[QE-users] [Webinar] Transformations in Computational Materials Science from Topological Approaches: Nucleation, Amorphisation, Phase Diagrams, Chemical Reactions
Dr.Mosab Banisalman
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2023/07/18
[QE-users] Pseudopotential not found, mpi not recognizing pw.x and epw not properly installed
Luiz Felipe
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2023/07/18
[QE-users] [QE-GPU] Seeking Step-by-Step Installation Guide for GPU Version of Quantum Espresso (Miguel Urbiztondo) (Miguel Urbiztondo)
Robinson Juma Musembi
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2023/07/18
Re: [QE-users] [QE-GPU] Seeking Step-by-Step Installation Guide for GPU Version of Quantum Espresso (Miguel Urbiztondo)
Miguel Urbiztondo via users
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2023/07/14
Re: [QE-users] [QE-GPU] Seeking Step-by-Step Installation Guide for GPU Version of Quantum Espresso (Miguel Urbiztondo)
Paolo Giannozzi
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2023/07/14
[QE-users] [QE-GPU] Seeking Step-by-Step Installation Guide for GPU Version of Quantum Espresso (Miguel Urbiztondo)
Robinson Juma Musembi
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2023/07/14
[QE-users] [QE-GPU] Seeking Step-by-Step Installation Guide for GPU Version of Quantum Espresso
Miguel Urbiztondo via users
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2023/07/13
Re: [QE-users] R: Assistance with the Installation of Quantum Espresso on Ubuntu
Dipta Suryya Mahanta via users
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2023/07/12
Re: [QE-users] on diago_thr_init
Mpayami via users
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2023/07/12
[QE-users] on conv_thr
Mpayami via users
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2023/07/12
[QE-users] How do I Get the Short-cut of QE After Going Through the Installation Process Successfully?
MOSES NTSIFUL
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2023/07/11
Re: [QE-users] Why do I get a warning when using PWTK with HSE?
Tone Kokalj
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2023/07/10
Re: [QE-users] SIC function in CPV relaxation
Paolo Giannozzi
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2023/07/10
[QE-users] SIC function in CPV relaxation
Xichen Hu
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2023/07/10
[QE-users] R: Assistance with the Installation of Quantum Espresso
Pietro Davide Delugas
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2023/07/10
[QE-users] Assistance with the Installation of Quantum Espresso
MOSES NTSIFUL
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2023/07/09
Re: [QE-users] "a" parameter in SYSTEM card
Giovanni Cantele
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2023/07/08
[QE-users] "a" parameter in SYSTEM card
dlduran
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2023/07/07
[QE-users] [SPAM] phonon mode irreducible representations
526587466--- via users
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2023/07/07
Re: [QE-users] R: Question on local atomic charge
Mpayami via users
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2023/07/07
[QE-users] R: Question on local atomic charge
Pietro Davide Delugas
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2023/07/06
Re: [QE-users] Question on local atomic charge
Mpayami via users
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2023/07/05
Re: [QE-users] R: Assistance with the Installation of Quantum Espresso on Ubuntu
Lorenzo Paulatto
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2023/07/05
[QE-users] R: Assistance with the Installation of Quantum Espresso on Ubuntu
Pietro Davide Delugas
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2023/07/04
Re: [QE-users] Question on local atomic charge
Mpayami via users
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2023/07/04
[QE-users] Assistance with the Installation of Quantum Espresso on Ubuntu
MOSES NTSIFUL
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2023/07/04
[QE-users] Question on local atomic charge
Mpayami via users
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2023/07/03
[QE-users] HSE Hybrid bands no calculated in an specific k-points path
ROBERT MIKHAIL GUZMAN ARELLANO
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2023/07/03
Re: [QE-users] Why my material do not get optimized with vc-relax using HSE?
Abiodun Odusanya
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2023/07/03
[QE-users] Reagarding average.x
Satyasiban Dash ph19d005
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2023/07/03
Re: [QE-users] Why my material do not get optimized with vc-relax using HSE?
Paolo Giannozzi
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2023/07/03
Re: [QE-users] Why my material do not get optimized with vc-relax using HSE?
Simon Imanuel Rombauer
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2023/07/03
Re: [QE-users] Turbo_eels.x crashing for bulk MoS2
Timrov Iurii via users
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2023/07/02
Re: [QE-users] R: Data Parallelism and GPU Support for Quantum Espresso
Paolo Giannozzi
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2023/07/02
Re: [QE-users] R: Data Parallelism and GPU Support for Quantum Espresso
Prashant Govindarajan via users
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2023/06/30
Re: [QE-users] Turbo_eels.x crashing for bulk MoS2
Elio Physics
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2023/06/30
Re: [QE-users] Turbo_eels.x crashing for bulk MoS2
Timrov Iurii via users
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2023/06/30
Re: [QE-users] Turbo_eels.x crashing for bulk MoS2
Elio Physics
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2023/06/30
Re: [QE-users] Turbo_eels.x crashing for bulk MoS2
Timrov Iurii via users
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2023/06/30
[QE-users] Turbo_eels.x crashing for bulk MoS2
Elio Physics
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2023/06/30
Re: [QE-users] R: Data Parallelism and GPU Support for Quantum Espresso
Paolo Giannozzi
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2023/06/30
[QE-users] R: Data Parallelism and GPU Support for Quantum Espresso
Pietro Davide Delugas
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2023/06/29
[QE-users] Data Parallelism and GPU Support for Quantum Espresso
Prashant Govindarajan via users
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2023/06/29
Re: [QE-users] maxster increasing for phonon convergence
Esmaeili via users
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2023/06/28
[QE-users] Error in routine tqli (200): too many iterations
Jing Lian Ng
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2023/06/28
Re: [QE-users] maxster increasing for phonon convergence
Paolo Giannozzi
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2023/06/27
Re: [QE-users] maxster increasing for phonon convergence
Esmaeili via users
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2023/06/27
Re: [QE-users] QE Terminated after some iteration
Esmaeili via users
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2023/06/27
Re: [QE-users] QE Terminated after some iteration
Giuseppe Mattioli
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2023/06/27
[QE-users] QE Terminated after some iteration
Mehran Bahramyan
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2023/06/26
Re: [QE-users] maxster increasing for phonon convergence
Abiodun Odusanya
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2023/06/26
[QE-users] maxster increasing for phonon convergence
Esmaeili via users
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2023/06/26
[QE-users] maxstep increasing for phonon convergence
Esmaeili via users
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2023/06/25
[QE-users] vdw function with e-ph?
zhouchao via users
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2023/06/25
Re: [QE-users] 2. k-point parallelisation using ESM-RISM: seg fault (Tom Demeyere)
Paolo Giannozzi
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2023/06/24
[QE-users] 2. k-point parallelisation using ESM-RISM: seg fault (Tom Demeyere)
Robinson Juma Musembi
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2023/06/23
[QE-users] k-point parallelisation using ESM-RISM: seg fault
Tom Demeyere via users
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2023/06/23
[QE-users] HSE functional Matchol error
Zimmi Singh
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2023/06/23
[QE-users] Problem finding global minimum with relax
FRANCESCO GIANNICI
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2023/06/22
[QE-users] SCF convergence Problem
Rameswar Bhattacharjee
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2023/06/21
Re: [QE-users] Large estimated SCF accuracy for monolayer \alpha-RuCl3
Lingzhi ZHANG
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2023/06/21
Re: [QE-users] Error Message while performing SCF.in
Cignarella Chiara via users
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2023/06/21
Re: [QE-users] Error Message while performing SCF.in
Md. Jahid Hasan Sagor
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2023/06/21
Re: [QE-users] Error Message while performing SCF.in
Md. Jahid Hasan Sagor
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2023/06/21
Re: [QE-users] Projwfc.x: Mismatch between the requested and available manifolds
Christoph Wolf
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2023/06/21
Re: [QE-users] Projwfc.x: Mismatch between the requested and available manifolds
Paolo Giannozzi
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2023/06/21
Re: [QE-users] Large estimated SCF accuracy for monolayer \alpha-RuCl3
Paolo Giannozzi
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2023/06/21
Re: [QE-users] Error Message while performing SCF.in
Paolo Giannozzi
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2023/06/21
Re: [QE-users] Error Message while performing SCF.in
Paolo Giannozzi
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2023/06/21
Re: [QE-users] Error Message while performing SCF.in
Cignarella Chiara via users
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2023/06/20
[QE-users] Large estimated SCF accuracy for monolayer \alpha-RuCl3
Lingzhi ZHANG
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2023/06/20
[QE-users] Error Message while performing SCF.in
Md. Jahid Hasan Sagor
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2023/06/20
[QE-users] 2D correction for using pw.x with Environ
Rabet, Sahar
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2023/06/19
Re: [QE-users] Using SCAN functionals with QE 7.2
Paolo Giannozzi
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2023/06/19
Re: [QE-users] Using SCAN functionals with QE 7.2
Monteiro Campos de Melo, P.M. (Pedro) via users
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2023/06/19
Re: [QE-users] Using SCAN functionals with QE 7.2
Fabrizio Ferrari Ruffino
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2023/06/19
[QE-users] Using SCAN functionals with QE 7.2
Monteiro Campos de Melo, P.M. (Pedro) via users
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2023/06/18
[QE-users] [Webinar] Large-scale machine-learning assisted discovery and characterization of materials
Dr.Mosab Banisalman
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2023/06/18
Re: [QE-users] Projwfc.x: Mismatch between the requested and available manifolds
Timrov Iurii via users
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2023/06/18
Re: [QE-users] Projwfc.x: Mismatch between the requested and available manifolds
Christoph Wolf
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2023/06/18
Re: [QE-users] Projwfc.x: Mismatch between the requested and available manifolds
Timrov Iurii via users
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2023/06/17
[QE-users] Projwfc.x: Mismatch between the requested and available manifolds
Christoph Wolf
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2023/06/16
[QE-users] sorry for the n! problem with the SCAN functional
zhouchao via users
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2023/06/16
[QE-users] Regarding charge density difference calculation
Satyasiban Dash ph19d005
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2023/06/16
[QE-users] error in davcio d3q.x
Elio Physics
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2023/06/16
Re: [QE-users] Confusion regarding the optimization of a tetragonal structure with pressure
Anupriya Nyayban
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2023/06/16
Re: [QE-users] A question on the volume_factor flag in d3_tk.x
Elio Physics
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2023/06/16
Re: [QE-users] A question on the volume_factor flag in d3_tk.x
Lorenzo Paulatto
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2023/06/15
Re: [QE-users] A question on the volume_factor flag in d3_tk.x
Elio Physics
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2023/06/15
Re: [QE-users] A question on the volume_factor flag in d3_tk.x
Lorenzo Paulatto
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2023/06/15
[QE-users] A question on the volume_factor flag in d3_tk.x
Elio Physics
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2023/06/15
[QE-users] A question on the volume_factor in the d3_tk.x code
Elio Physics
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2023/06/14
Re: [QE-users] About the calculation of dielectric function by using QE package
Md. Jahid Hasan Sagor
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2023/06/14
Re: [QE-users] vc-relax with PBE0 or HSE is not converging
Paolo Giannozzi
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2023/06/14
Re: [QE-users] vc-relax with PBE0 or HSE is not converging
Giuseppe Mattioli
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2023/06/14
Re: [QE-users] [D3q-discuss] Error executing d3_q2r.x
Elio Physics
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2023/06/14
Re: [QE-users] ATOMIC_POSITIONS input
Jayraj Anadani
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2023/06/14
[QE-users] ATOMIC_POSITIONS input
KRISHNENDU MUKHERJEE
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2023/06/12
[QE-users] Confusion regarding the optimization of a tetragonal structure with pressure
Anupriya Nyayban
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2023/06/12
[QE-users] Dielectric function at temperature greater than 0 K
Md. Jahid Hasan Sagor
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2023/06/12
Re: [QE-users] [D3q-discuss] Error executing d3_q2r.x
Lorenzo Paulatto
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2023/06/09
Re: [QE-users] [D3q-discuss] Error executing d3_q2r.x
Elio Physics
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2023/06/09
Re: [QE-users] [D3q-discuss] Error executing d3_q2r.x
Paolo Giannozzi
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2023/06/09
Re: [QE-users] [D3q-discuss] Error executing d3_q2r.x
Elio Physics
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2023/06/08
[QE-users] error executing the d3_q2r.x
Elio Physics
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2023/06/08
[QE-users] scf convergence
Ramon Sampaio Ferreira
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2023/06/08
Re: [QE-users] asr in dynmat.x
Juliana Maria Abreu Da Silva Morbec
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2023/06/08
Re: [QE-users] asr in dynmat.x
Lorenzo Bastonero
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2023/06/08
Re: [QE-users] asr in dynmat.x
Paolo Giannozzi
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2023/06/07
Re: [QE-users] asr in dynmat.x
Juliana Maria Abreu Da Silva Morbec
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2023/06/07
[QE-users] Error encountered during Hubbard_U optimization
TERSOO ATSUE
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2023/06/06
Re: [QE-users] asr in dynmat.x
Lorenzo Bastonero
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2023/06/06
[QE-users] asr in dynmat.x
Juliana Maria Abreu Da Silva Morbec
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2023/06/05
Re: [QE-users] Effect of nbnd on vc-relax
Giovanni Cantele
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2023/06/04
[QE-users] Andersen thermostat in QE: random collisions or not?
徐翰
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2023/06/04
Re: [QE-users] Linear Dispersion Behavior of Graphene Supercells: Seeking Explanations and Solutions
David Yao ANSI via users
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2023/06/04
Re: [QE-users] Linear Dispersion Behavior of Graphene Supercells: Seeking Explanations and Solutions
David Yao ANSI via users
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2023/06/04
Re: [QE-users] Problem with convergence
Iurii TIMROV via users
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2023/06/03
[QE-users] Effect of nbnd on vc-relax
Jing Lian Ng
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2023/06/03
Re: [QE-users] Problem with convergence
imane BEZZAOUI
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2023/06/03
Re: [QE-users] [SPAM] Calculation of static dielectric tensor
Lorenzo Paulatto
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2023/06/03
[QE-users] [SPAM] static dielectric tensor
Anton Filanovich
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2023/06/03
[QE-users] [SPAM] static dielectric tensor
Anton Filanovich
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2023/06/02
[QE-users] [SPAM] Calculation of static dielectric tensor
Филанович Антон
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2023/06/02
Re: [QE-users] Problem with convergence
Iurii TIMROV via users
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2023/06/02
Re: [QE-users] Problem with convergence
imane BEZZAOUI
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2023/06/02
[QE-users] Problem with convergence
imane BEZZAOUI
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2023/06/01
[QE-users] Linear Dispersion Behavior of Graphene Supercells: Seeking Explanations and Solutions
David Yao ANSI via users
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2023/06/01
Re: [QE-users] r2SCAN
Jibiao Li via users
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2023/06/01
[QE-users] r2SCAN
H. BOUAFIA
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2023/06/01
Re: [QE-users] Error when make epw with nvhpc compiler
Paolo Giannozzi
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2023/06/01
Re: [QE-users] Error when make epw with nvhpc compiler
Abiodun Odusanya
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2023/06/01
Re: [QE-users] Error when make epw with nvhpc compiler
Paolo Giannozzi
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2023/06/01
[QE-users] Error when make epw with nvhpc compiler
Siwakorn Sukharom
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2023/06/01
Re: [QE-users] Electron-phonon - tetra_example - alpha2f.x problem
سيدمحمد صندوقچي via users
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2023/05/31
Re: [QE-users] Electron-phonon - tetra_example - alpha2f.x problem
ukawamura u
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2023/05/31
Re: [QE-users] Regarding Charge density difference
Satyasiban Dash ph19d005
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2023/05/31
Re: [QE-users] Regarding Charge density difference
Giovanni Cantele
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2023/05/31
Re: [QE-users] Regarding Charge density difference
Satyasiban Dash ph19d005
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2023/05/31
[QE-users] Ph.x with error message "Error in routine checkallsym (2): not orthogonal operation"
j...@foxmail.com
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2023/05/30
Re: [QE-users] Regarding Charge density difference
Giovanni Cantele
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2023/05/30
[QE-users] [SPAM] Re: Doubt about Hands-on QE summer school TD-DFT exercise (day 3)
José Xavier via users
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2023/05/30
[QE-users] Regarding Charge density difference
Satyasiban Dash ph19d005
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2023/05/30
[QE-users] Electron-phonon - tetra_example - alpha2f.x problem
سيدمحمد صندوقچي via users
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2023/05/29
[QE-users] How to run QE on limited number of processsors of a single node?
Piotr Szkudlarek
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2023/05/29
Re: [QE-users] "Segmentation fault" error in versions 7.2 and 7.1 of QE
Niccolò Damian
-
2023/05/28
Re: [QE-users] Doubt about Hands-on QE summer school TD-DFT exercise (day 3)
Iurii TIMROV via users
-
2023/05/27
[QE-users] [SPAM] Re: Doubt about Hands-on QE summer school TD-DFT exercise (day 3)
José Xavier via users
-
2023/05/27
Re: [QE-users] Doubt about Hands-on QE summer school TD-DFT exercise (day 3)
Iurii TIMROV via users
-
2023/05/26
[QE-users] [SPAM] Re: Doubt about Hands-on QE summer school TD-DFT exercise (day 3)
José Xavier via users
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2023/05/25
Re: [QE-users] no geometry information at the end
Giuseppe Mattioli
-
2023/05/25
Re: [QE-users] no geometry information at the end
Paolo Giannozzi
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2023/05/25
Re: [QE-users] no geometry information at the end
dlduran
-
2023/05/25
Re: [QE-users] no geometry information at the end
Giuseppe Mattioli
-
2023/05/25
[QE-users] no geometry information at the end
dlduran
-
2023/05/24
[QE-users] R: R: [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive
Pietro Davide Delugas
-
2023/05/24
Re: [QE-users] R: [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive
Siwakorn Sukharom
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2023/05/24
Re: [QE-users] users Digest, Vol 190, Issue 21
Paolo Giannozzi
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2023/05/24
Re: [QE-users] users Digest, Vol 190, Issue 21
Ivan Carnimeo
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2023/05/23
Re: [QE-users] R: [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive
Paolo Giannozzi
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2023/05/23
Re: [QE-users] R: [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive
Siwakorn Sukharom
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2023/05/23
[QE-users] Deadline for applications is extended for the Advanced Quantum ESPRESSO school: Hubbard and Koopmans functionals from linear response
Iurii TIMROV via users
-
2023/05/23
Re: [QE-users] R: [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive
Paolo Giannozzi
-
2023/05/23
Re: [QE-users] R: [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive
Siwakorn Sukharom
-
2023/05/22
[QE-users] R: [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive
Pietro Davide Delugas
-
2023/05/22
Re: [QE-users] [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive
Siwakorn Sukharom
-
2023/05/22
Re: [QE-users] [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive
Paolo Giannozzi
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2023/05/22
[QE-users] [QE-GPU] compilation issue : NVFORTRAN-F-1225-Unmatched directive
Siwakorn Sukharom
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2023/05/22
Re: [QE-users] HP code: Noncollinear SOC
Iurii TIMROV via users
-
2023/05/21
Re: [QE-users] Error when configuring Quantum Espresso with LibXC
Paolo Giannozzi
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2023/05/21
Re: [QE-users] "Segmentation fault" error in versions 7.2 and 7.1 of QE
Paolo Giannozzi
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2023/05/21
[QE-users] [DFT+U] HP code: Noncollinear SOC
Ritwik Das
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2023/05/21
Re: [QE-users] "Segmentation fault" error in versions 7.2 and 7.1 of QE
Niccolò Damian
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2023/05/20
[QE-users] Error when configuring Quantum Espresso with LibXC
Jing Lian Ng
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2023/05/20
Re: [QE-users] "Segmentation fault" error in versions 7.2 and 7.1 of QE
Paolo Giannozzi
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2023/05/20
Re: [QE-users] [SPAM] Doubt about Hands-on QE summer school TD-DFT exercise (day 3)
Iurii TIMROV via users
-
2023/05/20
[QE-users] "Segmentation fault" error in versions 7.2 and 7.1 of QE
Niccolò Damian
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2023/05/19
Re: [QE-users] QE 6.5 versus QE 7.2
Paolo Giannozzi
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2023/05/19
[QE-users] QE 6.5 versus QE 7.2
Giovanni Cantele
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2023/05/18
[QE-users] problem in parallel exexution of example07 of HP
Mpayami via users
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2023/05/18
[QE-users] [SPAM] Doubt about Hands-on QE summer school TD-DFT exercise (day 3)
José Xavier via users
-
2023/05/18
[QE-users] Wavefunction plot in pp.x
David Yao ANSI via users
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2023/05/18
Re: [QE-users] the 2D structure wrong wrong total_weight
Zimmi Singh