June 2023 Archives by author

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Starting: Thu Jun 1 07:30:52 CEST 2023
Ending: Fri Jun 30 18:26:17 CEST 2023
Messages: 103

[QE-users] Andersen thermostat in QE: random collisions or not? Han Hsu (徐翰)
[QE-users] Linear Dispersion Behavior of Graphene Supercells: Seeking Explanations and Solutions David Yao ANSI
[QE-users] Linear Dispersion Behavior of Graphene Supercells: Seeking Explanations and Solutions David Yao ANSI
[QE-users] Error encountered during Hubbard_U optimization TERSOO ATSUE
[QE-users] ATOMIC_POSITIONS input Jayraj Anadani
[QE-users] Problem with convergence imane BEZZAOUI
[QE-users] Problem with convergence imane BEZZAOUI
[QE-users] Problem with convergence imane BEZZAOUI
[QE-users] r2SCAN H. BOUAFIA
[QE-users] QE Terminated after some iteration Mehran Bahramyan
[QE-users] [Webinar] Large-scale machine-learning assisted discovery and characterization of materials Dr.Mosab Banisalman
[QE-users] asr in dynmat.x Lorenzo Bastonero
[QE-users] asr in dynmat.x Lorenzo Bastonero
[QE-users] SCF convergence Problem Rameswar Bhattacharjee
[QE-users] Effect of nbnd on vc-relax Giovanni Cantele
[QE-users] Error Message while performing SCF.in Cignarella Chiara
[QE-users] Error Message while performing SCF.in Cignarella Chiara
[QE-users] R: Data Parallelism and GPU Support for Quantum Espresso Pietro Davide Delugas
[QE-users] k-point parallelisation using ESM-RISM: seg fault Tom Demeyere
[QE-users] scf convergence Ramon Sampaio Ferreira
[QE-users] [SPAM] static dielectric tensor Anton Filanovich
[QE-users] [SPAM] static dielectric tensor Anton Filanovich
[QE-users] Problem finding global minimum with relax FRANCESCO GIANNICI
[QE-users] Error when make epw with nvhpc compiler Paolo Giannozzi
[QE-users] Error when make epw with nvhpc compiler Paolo Giannozzi
[QE-users] asr in dynmat.x Paolo Giannozzi
[QE-users] [D3q-discuss] Error executing d3_q2r.x Paolo Giannozzi
[QE-users] vc-relax with PBE0 or HSE is not converging Paolo Giannozzi
[QE-users] Using SCAN functionals with QE 7.2 Paolo Giannozzi
[QE-users] Error Message while performing SCF.in Paolo Giannozzi
[QE-users] Error Message while performing SCF.in Paolo Giannozzi
[QE-users] Large estimated SCF accuracy for monolayer \alpha-RuCl3 Paolo Giannozzi
[QE-users] Projwfc.x: Mismatch between the requested and available manifolds Paolo Giannozzi
[QE-users] 2. k-point parallelisation using ESM-RISM: seg fault (Tom Demeyere) Paolo Giannozzi
[QE-users] maxster increasing for phonon convergence Paolo Giannozzi
[QE-users] R: Data Parallelism and GPU Support for Quantum Espresso Paolo Giannozzi
[QE-users] Data Parallelism and GPU Support for Quantum Espresso Prashant Govindarajan
[QE-users] Projwfc.x: Mismatch between the requested and available manifolds Timrov Iurii
[QE-users] Projwfc.x: Mismatch between the requested and available manifolds Timrov Iurii
[QE-users] Turbo_eels.x crashing for bulk MoS2 Timrov Iurii
[QE-users] Turbo_eels.x crashing for bulk MoS2 Timrov Iurii
[QE-users] r2SCAN Jibiao Li
[QE-users] ATOMIC_POSITIONS input KRISHNENDU MUKHERJEE
[QE-users] vc-relax with PBE0 or HSE is not converging Giuseppe Mattioli
[QE-users] QE Terminated after some iteration Giuseppe Mattioli
[QE-users] Using SCAN functionals with QE 7.2 Monteiro Campos de Melo, P.M. (Pedro)
[QE-users] Using SCAN functionals with QE 7.2 Monteiro Campos de Melo, P.M. (Pedro)
[QE-users] asr in dynmat.x Juliana Maria Abreu Da Silva Morbec
[QE-users] asr in dynmat.x Juliana Maria Abreu Da Silva Morbec
[QE-users] asr in dynmat.x Juliana Maria Abreu Da Silva Morbec
[QE-users] 2. k-point parallelisation using ESM-RISM: seg fault (Tom Demeyere) Robinson Juma Musembi
[QE-users] Effect of nbnd on vc-relax Jing Lian Ng
[QE-users] Error in routine tqli (200): too many iterations Jing Lian Ng
[QE-users] Confusion regarding the optimization of a tetragonal structure with pressure Anupriya Nyayban
[QE-users] Confusion regarding the optimization of a tetragonal structure with pressure Anupriya Nyayban
[QE-users] Error when make epw with nvhpc compiler Abiodun Odusanya
[QE-users] maxster increasing for phonon convergence Abiodun Odusanya
[QE-users] [SPAM] Calculation of static dielectric tensor Lorenzo Paulatto
[QE-users] [D3q-discuss] Error executing d3_q2r.x Lorenzo Paulatto
[QE-users] A question on the volume_factor flag in d3_tk.x Lorenzo Paulatto
[QE-users] A question on the volume_factor flag in d3_tk.x Lorenzo Paulatto
[QE-users] error executing the d3_q2r.x Elio Physics
[QE-users] [D3q-discuss] Error executing d3_q2r.x Elio Physics
[QE-users] [D3q-discuss] Error executing d3_q2r.x Elio Physics
[QE-users] [D3q-discuss] Error executing d3_q2r.x Elio Physics
[QE-users] A question on the volume_factor in the d3_tk.x code Elio Physics
[QE-users] A question on the volume_factor flag in d3_tk.x Elio Physics
[QE-users] A question on the volume_factor flag in d3_tk.x Elio Physics
[QE-users] A question on the volume_factor flag in d3_tk.x Elio Physics
[QE-users] error in davcio d3q.x Elio Physics
[QE-users] Turbo_eels.x crashing for bulk MoS2 Elio Physics
[QE-users] Turbo_eels.x crashing for bulk MoS2 Elio Physics
[QE-users] Turbo_eels.x crashing for bulk MoS2 Elio Physics
[QE-users] 2D correction for using pw.x with Environ Rabet, Sahar
[QE-users] Using SCAN functionals with QE 7.2 Fabrizio Ferrari Ruffino
[QE-users] vc-relax with PBE0 or HSE is not converging NAIMI SALMA
[QE-users] vc-relax with PBE0 or HSE is not converging NAIMI SALMA
[QE-users] vc-relax with PBE0 or HSE is not converging NAIMI SALMA
[QE-users] Dielectric function at temperature greater than 0 K Md. Jahid Hasan Sagor
[QE-users] About the calculation of dielectric function by using QE package Md. Jahid Hasan Sagor
[QE-users] Error Message while performing SCF.in Md. Jahid Hasan Sagor
[QE-users] Error Message while performing SCF.in Md. Jahid Hasan Sagor
[QE-users] Error Message while performing SCF.in Md. Jahid Hasan Sagor
[QE-users] HSE functional Matchol error Zimmi Singh
[QE-users] Error when make epw with nvhpc compiler Siwakorn Sukharom
[QE-users] Problem with convergence Iurii TIMROV
[QE-users] Problem with convergence Iurii TIMROV
[QE-users] Projwfc.x: Mismatch between the requested and available manifolds Christoph Wolf
[QE-users] Projwfc.x: Mismatch between the requested and available manifolds Christoph Wolf
[QE-users] Projwfc.x: Mismatch between the requested and available manifolds Christoph Wolf
[QE-users] Large estimated SCF accuracy for monolayer \alpha-RuCl3 Lingzhi ZHANG
[QE-users] Large estimated SCF accuracy for monolayer \alpha-RuCl3 Lingzhi ZHANG
[QE-users] Regarding charge density difference calculation Satyasiban Dash ph19d005
[QE-users] Electron-phonon - tetra_example - alpha2f.x problem ukawamura u
[QE-users] maxstep increasing for phonon convergence a.esmaeili at urmia.ac.ir
[QE-users] maxster increasing for phonon convergence a.esmaeili at urmia.ac.ir
[QE-users] QE Terminated after some iteration a.esmaeili at urmia.ac.ir
[QE-users] maxster increasing for phonon convergence a.esmaeili at urmia.ac.ir
[QE-users] maxster increasing for phonon convergence a.esmaeili at urmia.ac.ir
[QE-users] sorry for the n! problem with the SCAN functional zhouchao
[QE-users] vdw function with e-ph? zhouchao
[QE-users] [SPAM] Calculation of static dielectric tensor Филанович Антон
[QE-users] Electron-phonon - tetra_example - alpha2f.x problem سيدمحمد صندوقچي

Last message date: Fri Jun 30 18:26:17 CEST 2023
Archived on: Fri Jun 30 18:26:58 CEST 2023

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