July 2023 Archives by thread

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Starting: Sun Jul 2 09:41:03 CEST 2023
Ending: Mon Jul 31 19:26:26 CEST 2023
Messages: 79

• [QE-users] R: Data Parallelism and GPU Support for Quantum Espresso   Prashant Govindarajan
  • [QE-users] R: Data Parallelism and GPU Support for Quantum Espresso   Paolo Giannozzi
• [QE-users] Turbo_eels.x crashing for bulk MoS2   Timrov Iurii
• [QE-users] Why my material do not get optimized with vc-relax using HSE?   NAIMI SALMA
  • [QE-users] Why my material do not get optimized with vc-relax using HSE?   Simon Imanuel Rombauer
  • [QE-users] Why my material do not get optimized with vc-relax using HSE?   Paolo Giannozzi
    • [QE-users] Why my material do not get optimized with vc-relax using HSE?   Abiodun Odusanya
• [QE-users] Reagarding average.x   Satyasiban Dash ph19d005
• [QE-users] HSE Hybrid bands no calculated in an specific k-points path   ROBERT MIKHAIL GUZMAN ARELLANO
• [QE-users] Question on local atomic charge   Mpayami
  • [QE-users] Question on local atomic charge   Mpayami
    • [QE-users] Question on local atomic charge   Mpayami
      • [QE-users] R: Question on local atomic charge   Pietro Davide Delugas
      • [QE-users] R: Question on local atomic charge   Mpayami
• [QE-users] Assistance with the Installation of Quantum Espresso on Ubuntu   MOSES NTSIFUL
  • [QE-users] R: Assistance with the Installation of Quantum Espresso on Ubuntu   Pietro Davide Delugas
    • [QE-users] R: Assistance with the Installation of Quantum Espresso on Ubuntu   Lorenzo Paulatto
      • [QE-users] R: Assistance with the Installation of Quantum Espresso on Ubuntu   Dipta Suryya Mahanta
• [QE-users] [SPAM] phonon mode irreducible representations   526587466 at qq.com
• [QE-users] "a" parameter in SYSTEM card   dlduran at uco.es
  • [QE-users] "a" parameter in SYSTEM card   Giovanni Cantele
• [QE-users] Assistance with the Installation of Quantum Espresso   MOSES NTSIFUL
  • [QE-users] R: Assistance with the Installation of Quantum Espresso   Pietro Davide Delugas
• [QE-users] SIC function in CPV relaxation   Xichen Hu
  • [QE-users] SIC function in CPV relaxation   Paolo Giannozzi
• [QE-users] Why do I get a warning when using PWTK with HSE?   NAIMI SALMA
  • [QE-users] Why do I get a warning when using PWTK with HSE?   Tone Kokalj
    • [QE-users] Why do I get a warning when using PWTK with HSE?   NAIMI SALMA
• [QE-users] How do I Get the Short-cut of QE After Going Through the Installation Process Successfully?   MOSES NTSIFUL
• [QE-users] on conv_thr   Mpayami
  • [QE-users] on diago_thr_init   Mpayami
• [QE-users] [QE-GPU] Seeking Step-by-Step Installation Guide for GPU Version of Quantum Espresso   Miguel Urbiztondo
• [QE-users] [QE-GPU] Seeking Step-by-Step Installation Guide for GPU Version of Quantum Espresso (Miguel Urbiztondo)   Robinson Juma Musembi
  • [QE-users] [QE-GPU] Seeking Step-by-Step Installation Guide for GPU Version of Quantum Espresso (Miguel Urbiztondo)   Paolo Giannozzi
  • [QE-users] [QE-GPU] Seeking Step-by-Step Installation Guide for GPU Version of Quantum Espresso (Miguel Urbiztondo)   Miguel Urbiztondo
• [QE-users] [QE-GPU] Seeking Step-by-Step Installation Guide for GPU Version of Quantum Espresso (Miguel Urbiztondo) (Miguel Urbiztondo)   Robinson Juma Musembi
• [QE-users] Pseudopotential not found, mpi not recognizing pw.x and epw not properly installed   Luiz Felipe
• [QE-users] [Webinar] Transformations in Computational Materials Science from Topological Approaches: Nucleation, Amorphisation, Phase Diagrams, Chemical Reactions   Dr.Mosab Banisalman
• [QE-users] Quantum Espresso v7.2 installation   gang.yang at xju.edu.cn
  • [QE-users] Quantum Espresso v7.2 installation   Lorenzo Paulatto
• [QE-users] Total and absolute magnetization not converging to the same value   a.pramos
• [QE-users] Problem installing unfold.x   Paulina Jureczko
  • [QE-users] Problem installing unfold.x   Paolo Giannozzi
• [QE-users] Procedure for relaxation of antiferromagnetic Mn3Ir   Vahid Askarpour
• [QE-users] Error in ph.x (Error in routine set_irr_sym_new (2022): wrong representation)   a.esmaeili at urmia.ac.ir
• [QE-users] What are the available options to include Van-der-Waals interactions within phonon calculations (ph.x)   PURINUT SAE-FU
• [QE-users] [SPAM] How to calculate dielectric constant \epsilon_0 using Quantum Espresso   a.n.filanovich at yandex.ru
• [QE-users] SCF Calculation Issue with PBE0 Functional   Rameswar Bhattacharjee
  • [QE-users] SCF Calculation Issue with PBE0 Functional   Kazume NISHIDATE
    • [QE-users] SCF Calculation Issue with PBE0 Functional   Rameswar Bhattacharjee
• [QE-users] Quantum Entanglement   KRISHNENDU MUKHERJEE
  • [QE-users] Quantum Entanglement   Stefano Baroni
• [QE-users] pw.x malloc failed   Aziz Ogutlu
  • [QE-users] pw.x malloc failed   Paolo Giannozzi
    • [QE-users] pw.x malloc failed   Aziz Ogutlu
      • [QE-users] pw.x malloc failed   Stefano Baroni
• [QE-users] Quantum Espresso installation problem-get Error from "make pw"   胡大展
  • [QE-users] Quantum Espresso installation problem-get Error from "make pw"   Paolo Giannozzi
• [QE-users] Missing d orbital in projected band structure of CaC6   Bruce Wang
  • [QE-users] Missing d orbital in projected band structure of CaC6   Giuseppe Mattioli
  • [QE-users] Missing d orbital in projected band structure of CaC6   Giovanni Cantele
    • [QE-users] Missing d orbital in projected band structure of CaC6   Giuseppe Mattioli
      • [QE-users] Missing d orbital in projected band structure of CaC6   Paolo Giannozzi
• [QE-users] How does one calculate dipole moments or access (readable) wave functions from e.g. PW?   Brian de Keijzer
  • [QE-users] How does one calculate dipole moments or access (readable) wave functions from e.g. PW?   Paolo Giannozzi
    • [QE-users] How does one calculate dipole moments or access (readable) wave functions from e.g. PW?   Brian de Keijzer
• [QE-users] Fwd: Missing d orbital in projected band structure of CaC6   Lorenzo Paulatto
• [QE-users] DFT + Hubbard error with ccECP pseudopotentials in QE 7.1 and 7.2   Anirudh Adavi
  • [QE-users] DFT + Hubbard error with ccECP pseudopotentials in QE 7.1 and 7.2   Timrov Iurii
• [QE-users] problems optimizing 2d material with option . ¿ possible bug?   Wilber Muriel
• [QE-users] problems optimizing 2d material with option "assume_isolated = '2D' " . ¿ possible bug?   Wilber Muriel
• [QE-users] xspectra setting   Ishiyama,Takahisa_石山 貴久
• [QE-users] About MAE Energy   imane BEZZAOUI
• [QE-users] Problem of Phonon calculations with Grimme's DFT-D3   Jibiao Li
• [QE-users] CRASH report in EELS calculation by using turbo_eels.x in QE7.2   PURINUT SAE-FU
  • [QE-users] CRASH report in EELS calculation by using turbo_eels.x in QE7.2   Oscar Baseggio
• [QE-users] possible bug in 7.2 and pp.x   Christoph Wolf
• [QE-users] QE Intel: WARNING: release_mt library was used but no multi-ep feature was enabled. Please use release library instead.   Anton Lopis
  • [QE-users] QE Intel: WARNING: release_mt library was used but no multi-ep feature was enabled. Please use release library instead.   Pietro Davide Delugas

Last message date: Mon Jul 31 19:26:26 CEST 2023
Archived on: Mon Jul 31 19:26:43 CEST 2023

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