May 2024 Archives by thread

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Starting: Fri May 3 04:57:14 CEST 2024
Ending: Fri May 31 14:37:31 CEST 2024
Messages: 122

• [QE-users] error: could not find projections block in wannier90.nnkp   임용식
• [QE-users] Boltztrap Calculation   Elham Rezaee
  • [QE-users] Boltztrap Calculation   Davide Ceresoli
    • [QE-users] Boltztrap Calculation   Elham Rezaee
      • [QE-users] Boltztrap Calculation   Davide Ceresoli
      • [QE-users] Boltztrap Calculation   Elham Rezaee
      • [QE-users] Boltztrap Calculation   Elham Rezaee
• [QE-users] HP calculation can't find chi files after dividing calculations along q-points and perturbed atoms   O'Brien, Christopher John
• [QE-users] Question about code in ccgdiagg.f90 (conjugate gradient solver)   H Wang
• [QE-users] Regarding choice of functional for van der Waal corrections   Sumantra Das
• [QE-users] Materials Square Upcoming Webinar: Accelerated Materials and Molecular Discovery with Self-Driving Labs   Gabriele Mogni
• [QE-users] Registrations to the PWTK-2024 Tutorial are now open!   Tone Kokalj
• [QE-users] Calculating absorption curve along XX and YY axis for 2D material   Eesha Sanjay Andharia
  • [QE-users] Calculating absorption curve along XX and YY axis for 2D material   Eesha Sanjay Andharia
    • [QE-users] Calculating absorption curve along XX and YY axis for 2D material   Eesha Sanjay Andharia
• [QE-users] Help Needed with Empty Trace File in BoltzTrap Calculation   Elham Rezaee
  • [QE-users] Help Needed with Empty Trace File in BoltzTrap Calculation   Davide Ceresoli
    • [QE-users] Help Needed with Empty Trace File in BoltzTrap Calculation   Elham Rezaee
      • [QE-users] Help Needed with Empty Trace File in BoltzTrap Calculation   Davide Ceresoli
• [QE-users] Magnetic moment   VISHVA JEET ANAND
  • [QE-users] Magnetic moment   Niharika Joshi
  • [QE-users] Magnetic moment   Paolo Giannozzi
• [QE-users] Optimal pw command line for large systems and only Gamma point   Antonio Cammarata
  • [QE-users] Optimal pw command line for large systems and only Gamma point   Giuseppe Mattioli
  • [QE-users] Optimal pw command line for large systems and only Gamma point   Paolo Giannozzi
    • [QE-users] Optimal pw command line for large systems and only Gamma point   Antonio Cammarata
    • [QE-users] Optimal pw command line for large systems and only Gamma point   Antonio Cammarata
      • [QE-users] Optimal pw command line for large systems and only Gamma point   Giuseppe Mattioli
      • [QE-users] Optimal pw command line for large systems and only Gamma point   Nicola Marzari
      • [QE-users] Optimal pw command line for large systems and only Gamma point   Giuseppe Mattioli
• [QE-users] Problem in running QE7.3   wangzongyi at mail.ustc.edu.cn
  • [QE-users] Problem in running QE7.3   Jayraj Anadani
  • [QE-users] Problem in running QE7.3   Paolo Giannozzi
• [QE-users] [SPAM] QE Born effective charges and Dielectric Constant   孙昊冉
• [QE-users] Supercell relaxation   VISHVA JEET ANAND
  • [QE-users] Supercell relaxation   Giovanni Cantele
    • [QE-users] Supercell relaxation   VISHVA JEET ANAND
      • [QE-users] Supercell relaxation   Daniel Rothchild
      • [QE-users] Supercell relaxation   VISHVA JEET ANAND
• [QE-users] Contradicted results of Thermo_pw code   Tarek Hammad
• [QE-users] Not able to converge Triplet O2 with quantum espresso v 7.2   AKHILESH SHARMA 22909003
• [QE-users] Phonon calculation with DFT-D3 correction   Jing Lian Ng
  • [QE-users] Phonon calculation with DFT-D3 correction   Omar Ashour
    • [QE-users] Phonon calculation with DFT-D3 correction   Ghosh, Prasenjit
• [QE-users] [SPAM] Inquiry Regarding the libxc   zhouchao
  • [QE-users] [SPAM] Inquiry Regarding the libxc   Paolo Giannozzi
• [QE-users] Error in routine memory_report (1): more bands than PWs!   Максим Арсентьев
  • [QE-users] Error in routine memory_report (1): more bands than PWs!   Paolo Giannozzi
• [QE-users] Query about cif file   VISHVA JEET ANAND
• [QE-users] Feo unit sell relax   VISHVA JEET ANAND
  • [QE-users] Feo unit sell relax   Giovanni Cantele
  • [QE-users] Feo unit sell relax   Ing. Martin Matas
    • [QE-users] Feo unit sell relax   VISHVA JEET ANAND
• [QE-users] K_POINTS problem of band_interpolation.x   Shuai Zhao
• [QE-users] temperature of the output electronic properties in QE   Md. Jahid Hasan Sagor
  • [QE-users] [SPAM] temperature of the output electronic properties in QE   Husak Michal
    • [QE-users] [SPAM] temperature of the output electronic properties in QE   Md. Jahid Hasan Sagor
• [QE-users] Re - K_POINTS problem of band_interpolation.x   Ivan Carnimeo
  • [QE-users] Re - K_POINTS problem of band_interpolation.x   赵帅
    • [QE-users] Re - K_POINTS problem of band_interpolation.x   Paolo Giannozzi
  • [QE-users] Re - K_POINTS problem of band_interpolation.x   Ivan Carnimeo
• [QE-users] users Digest, Vol 202, Issue 12   Jing Lian Ng
• [QE-users] Problem with DFPT using SCAN   Nupur Mehra
  • [QE-users] Problem with DFPT using SCAN   Paolo Giannozzi
    • [QE-users] QE installation with libXC   Abdesalem Houari
      • [QE-users] QE installation with libXC   Paolo Giannozzi
• [QE-users] N2 unit cell   VISHVA JEET ANAND
  • [QE-users] N2 unit cell   Giovanni Cantele
• [QE-users] how to choose the number of processors (-np with -npool)   H. BOUAFIA
  • [QE-users] how to choose the number of processors (-np with -npool)   Giovanni Cantele
• [QE-users] hp.x - appropriate way to handle single dopant   Abdul Muhaymin
  • [QE-users] hp.x - appropriate way to handle single dopant   Abdesalem Houari
    • [QE-users] hp.x - appropriate way to handle single dopant   Abdul Muhaymin
      • [QE-users] hp.x - appropriate way to handle single dopant   Abdesalem Houari
• [QE-users] PAW potentials for s-block   Parvathy Parameswaran
• [QE-users] Web site issue   Giovanni Cantele
• [QE-users] [SPAM] pw.x k_points problem   凉言
  • [QE-users] [SPAM] pw.x k_points problem   Paolo Giannozzi
• [QE-users] 回复： [SPAM] pw.x k_points problem   凉言
• [QE-users] Reg. surface absorption energy   Akhil g.nair
• [QE-users] AMS2024 release: QE integration, on-the-fly ML potentials, reaction discovery   Fedor Goumans
• [QE-users] SCF Cannot Converge for Adsorption of CO on Ni111   Chao Xu
• [QE-users] Error while phonon calculation (ph.x)   Md. Jahid Hasan Sagor
  • [QE-users] Error while phonon calculation (ph.x)   Lorenzo Bastonero
    • [QE-users] Error while phonon calculation (ph.x)   Md. Jahid Hasan Sagor
      • [QE-users] Error while phonon calculation (ph.x)   Vahid Askarpour
      • [QE-users] Error while phonon calculation (ph.x)   Md. Jahid Hasan Sagor
      • [QE-users] Error while phonon calculation (ph.x)   Vahid Askarpour
      • [QE-users] Error while phonon calculation (ph.x)   Lorenzo Bastonero
      • [QE-users] Error while phonon calculation (ph.x)   Md. Jahid Hasan Sagor
      • [QE-users] Error while phonon calculation (ph.x)   Lorenzo Bastonero
• [QE-users] ML-MoS2 fatbands: two questions/bugs   Vahid Askarpour
  • [QE-users] ML-MoS2 fatbands: two questions/bugs   Kazume NISHIDATE
    • [QE-users] ML-MoS2 fatbands: two questions/bugs   Vahid Askarpour
      • [QE-users] ML-MoS2 fatbands: two questions/bugs   Kazume NISHIDATE
      • [QE-users] ML-MoS2 fatbands: two questions/bugs   Vahid Askarpour
      • [QE-users] ML-MoS2 fatbands: two questions/bugs   Kazume NISHIDATE
      • [QE-users] [SPAM] Re: ML-MoS2 fatbands: two questions/bugs   Husak Michal
• [QE-users] MPI error - root cause and solution   wenusaras
• [QE-users] LIBXC versus internal QE functionals   Abdesalem Houari
  • [QE-users] LIBXC versus internal QE functionals   Abdesalem Houari
    • [QE-users] LIBXC versus internal QE functionals   Paolo Giannozzi
• [QE-users] Error with QE-7.3   H. BOUAFIA
  • [QE-users] Error with QE-7.3   Daniel Rothchild
• [QE-users] Error in routine ylmr2 (15): l too large, or wrong number of Ylm required   Simon Imanuel Rombauer
  • [QE-users] Error in routine ylmr2 (15): l too large, or wrong number of Ylm required   Daniel Rothchild
    • [QE-users] Error in routine ylmr2 (15): l too large, or wrong number of Ylm required   Simon Imanuel Rombauer
• [QE-users] vdW nonlocal term   Buckova, Nina
  • [QE-users] vdW nonlocal term   Fabrizio Ferrari Ruffino
• [QE-users] Unit of coordiante of q point in phonon calculation   Banhi Chatterjee
• [QE-users] Constrained DFT with QE   Buccella Giacomo (RSE)
  • [QE-users] Constrained DFT with QE   Nicola Marzari
• [QE-users] How to plot temperature dependent Phonon dispersion using Quantum Espresso   Md. Jahid Hasan Sagor
• [QE-users] [SPAM] parallel parameter in qe   Marin
  • [QE-users] [SPAM] parallel parameter in qe   Daniel Rothchild
• [QE-users] calculation stops after bfgs step without writing atom coordinates   Antonio Cammarata
  • [QE-users] calculation stops after bfgs step without writing atom coordinates   Kazume NISHIDATE
    • [QE-users] calculation stops after bfgs step without writing atom coordinates   Daniel Rothchild
      • [QE-users] calculation stops after bfgs step without writing atom coordinates   Vahid Askarpour
      • [QE-users] calculation stops after bfgs step without writing atom coordinates   Antonio Cammarata
      • [QE-users] calculation stops after bfgs step without writing atom coordinates   Kazume NISHIDATE
• [QE-users] scf calculation 'killed' in the terminal with no error message in the output file.   Dr. Pabitra Mandal

Last message date: Fri May 31 14:37:31 CEST 2024
Archived on: Fri May 31 17:33:33 CEST 2024

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