December 2020 Archives by thread

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Starting: Tue Dec 1 12:04:50 CET 2020
Ending: Thu Dec 31 16:00:39 CET 2020
Messages: 235

• [QE-users] Error in routine diropn (34): can't open a connected unit   Dr. K. C. Bhamu
  • [QE-users] Error in routine diropn (34): can't open a connected unit   Timrov Iurii
    • [QE-users] Error in routine diropn (34): can't open a connected unit   Timrov Iurii
      • [QE-users] Error in routine diropn (34): can't open a connected unit   Dr. K. C. Bhamu
      • [QE-users] Error in routine diropn (34): can't open a connected unit   Timrov Iurii
      • [QE-users] Error in routine diropn (34): can't open a connected unit   Dr. K. C. Bhamu
      • [QE-users] Error in routine diropn (34): can't open a connected unit   Timrov Iurii
      • [QE-users] Error in routine diropn (34): can't open a connected unit   Dr. K. C. Bhamu
      • [QE-users] Error in routine diropn (34): can't open a connected unit   Lorenzo Paulatto
• [QE-users] QE-6.6 Error in routine scale_sym_ops (4): incompatible FFT grid   Paolo Giannozzi
• [QE-users] Binding energy for Graphene-metal interface   Giuseppe Mattioli
• [QE-users] Error wrong ibrav   Paolo Giannozzi
• [QE-users] Error in running DOS.x   Yichen Qian
  • [QE-users] Error in running DOS.x   Paolo Giannozzi
• [QE-users] SCf convergence for antiferromagnetic insulator   Diship Srivastava
  • [QE-users] SCf convergence for antiferromagnetic insulator   Diship Srivastava
    • [QE-users] SCf convergence for antiferromagnetic insulator   Iurii TIMROV
      • [QE-users] SCf convergence for antiferromagnetic insulator   Diship Srivastava
      • [QE-users] SCf convergence for antiferromagnetic insulator   Iurii TIMROV
• [QE-users] problem using vc-relax with organic crystal structure   Cuocci Corrado
  • [QE-users] problem using vc-relax with organic crystal structure   Claudio A. Perottoni
    • [QE-users] problem using vc-relax with organic crystal structure   Stefano Baroni
      • [QE-users] problem using vc-relax with organic crystal structure   Paolo Giannozzi
    • [QE-users] problem using vc-relax with organic crystal structure   Paolo Giannozzi
• [QE-users] regarding charge transfer analysis   SOUMYAKANTA PANDA
• [QE-users] pp.x error accessing restart file   Aaron Friesz
  • [QE-users] pp.x error accessing restart file   Paolo Giannozzi
    • [QE-users] pp.x error accessing restart file   Aaron Friesz
  • [QE-users] pp.x error accessing restart file   Paolo Giannozzi
    • [QE-users] pp.x error accessing restart file   Aaron Friesz
      • [QE-users] pp.x error accessing restart file   Paolo Giannozzi
      • [QE-users] pp.x error accessing restart file   Aaron Friesz
      • [QE-users] pp.x error accessing restart file   Aaron Friesz
      • [QE-users] pp.x error accessing restart file   Paolo Giannozzi
      • [QE-users] pp.x error accessing restart file   Aaron Friesz
      • [QE-users] pp.x error accessing restart file   Paolo Giannozzi
• [QE-users] D3Q code stopped due to davcio error   Kanka Ghosh
  • [QE-users] D3Q code stopped due to davcio error   Lorenzo Paulatto
    • [QE-users] D3Q code stopped due to davcio error   Kanka Ghosh
      • [QE-users] D3Q code stopped due to davcio error   Lorenzo Paulatto
      • [QE-users] D3Q code stopped due to davcio error   Kanka Ghosh
      • [QE-users] D3Q code stopped due to davcio error   Lorenzo Paulatto
      • [QE-users] D3Q code stopped due to davcio error   Kanka Ghosh
      • [QE-users] D3Q code stopped due to davcio error   Lorenzo Paulatto
• [QE-users] [EXTERNAL] users Digest, Vol 161, Issue 2   Yichen Qian
• [QE-users] Using symmetry in input structure description   Husak Michal
  • [QE-users] Using symmetry in input structure description   Lorenzo Paulatto
    • [QE-users] Using symmetry in input structure description   Husak Michal
      • [QE-users] Using symmetry in input structure description   Lorenzo Paulatto
• [QE-users] phonon calculations and el-ph couplings   Jibiao Li
  • [QE-users] phonon calculations and el-ph couplings   Mitsuaki Kawamura
    • [QE-users] phonon calculations and el-ph couplings   Jibiao Li
• [QE-users] phonon dos   Sohail Ahmad
  • [QE-users] phonon dos   Lorenzo Paulatto
    • [QE-users] phonon dos   Ing. Martin Matas
• [QE-users] attribute "ngw" and "igwx" in the wfc file of hdf5   inagaki ctec
  • [QE-users] attribute "ngw" and "igwx" in the wfc file of hdf5   Paolo Giannozzi
• [QE-users] number of iterations in phonon calculation   Sohail Ahmad
• [QE-users] phonon convergence proble   Sohail Ahmad
  • [QE-users] [External Email] phonon convergence proble   Hari Paudyal
• [QE-users] Cannot restart pw.x for BOMD calculation   Abhirup Patra
  • [QE-users] Cannot restart pw.x for BOMD calculation   Giuseppe Mattioli
    • [QE-users] Cannot restart pw.x for BOMD calculation   Abhirup Patra
      • [QE-users] Cannot restart pw.x for BOMD calculation   Giuseppe Mattioli
• [QE-users] Location of Electron Self Energy Storage (EPW)   Stephen Zhang
• [QE-users] [SUSPECT ATTACHMENT REMOVED] Fwd: Error in relaxation process   Reem Abdel-Kader Ibrahim
  • [QE-users] [SUSPECT ATTACHMENT REMOVED] Fwd: Error in relaxation process   Paolo Giannozzi
    • [QE-users] [SUSPECT ATTACHMENT REMOVED] Fwd: Error in relaxation process   Reem Abdel-Kader Ibrahim
      • [QE-users] [SUSPECT ATTACHMENT REMOVED] Fwd: Error in relaxation process   Paolo Giannozzi
      • [QE-users] [SUSPECT ATTACHMENT REMOVED] Fwd: Error in relaxation process   Tamas Karpati
• [QE-users] Either NEGATIVE FREQUENCY or CONVERGENCE problem in PHONON   Sohail Ahmad
  • [QE-users] Either NEGATIVE FREQUENCY or CONVERGENCE problem in PHONON   Tamas Karpati
    • [QE-users] Either NEGATIVE FREQUENCY or CONVERGENCE problem in PHONON   Stefano Baroni
      • [QE-users] Either NEGATIVE FREQUENCY or CONVERGENCE problem in PHONON   Tamas Karpati
• [QE-users] Large calculation Anecdotes   Aaron Friesz
  • [QE-users] Large calculation Anecdotes   Giuseppe Mattioli
• [QE-users] pw.x wavefunction files   Aaron Friesz
  • [QE-users] pw.x wavefunction files   Pietro Delugas
    • [QE-users] pw.x wavefunction files   Aaron Friesz
      • [QE-users] pw.x wavefunction files   Paolo Giannozzi
      • [QE-users] pw.x wavefunction files   Aaron Friesz
• [QE-users] QE performance vs. ScaLAPACK and ELPA on a single node?   Tamas Karpati
• [QE-users] [Pw_forum] How to calculate atomic magnetic moment in the non-collinear spin-orbit calculations   Ming Lei
  • [QE-users] [Pw_forum] How to calculate atomic magnetic moment in the non-collinear spin-orbit calculations   Lorenzo Paulatto
  • [QE-users] [Pw_forum] How to calculate atomic magnetic moment in the non-collinear spin-orbit calculations   Marcelo Albuquerque
    • [QE-users] [Pw_forum] How to calculate atomic magnetic moment in the non-collinear spin-orbit calculations   Ming Lei
      • [QE-users] [Pw_forum] How to calculate atomic magnetic moment in the non-collinear spin-orbit calculations   Lorenzo Paulatto
      • [QE-users] [Pw_forum] How to calculate atomic magnetic moment in the non-collinear spin-orbit calculations   Ming Lei
• [QE-users] Regarrding fatband awk script in QE   Nitin Bijewar .
  • [QE-users] Regarrding fatband awk script in QE   Guido Fratesi
• [QE-users] time consuming band structure calculation for a supercell   Zahra Khatibi
  • [QE-users] time consuming band structure calculation for a supercell   Lorenzo Paulatto
    • [QE-users] time consuming band structure calculation for a supercell   Zahra Khatibi
      • [QE-users] time consuming band structure calculation for a supercell   Lorenzo Paulatto
      • [QE-users] time consuming band structure calculation for a supercell   Zahra Khatibi
      • [QE-users] time consuming band structure calculation for a supercell   Tobias Klöffel
      • [QE-users] time consuming band structure calculation for a supercell   Zahra Khatibi
      • [QE-users] time consuming band structure calculation for a supercell   Lorenzo Paulatto
      • [QE-users] time consuming band structure calculation for a supercell   Lorenzo Paulatto
      • [QE-users] time consuming band structure calculation for a supercell   Lorenzo Paulatto
      • [QE-users] time consuming band structure calculation for a supercell   Michal Krompiec
      • [QE-users] time consuming band structure calculation for a supercell   Lorenzo Paulatto
      • [QE-users] time consuming band structure calculation for a supercell   Paolo Giannozzi
      • [QE-users] time consuming band structure calculation for a supercell   Zahra Khatibi
• [QE-users] Segmentation fault when using ph.x, MacOSX   Сергей Клявинек
  • [QE-users] Segmentation fault when using ph.x, MacOSX   Paolo Giannozzi
    • [QE-users] Segmentation fault when using ph.x, MacOSX   Nicola Marzari
• [QE-users] Hubbard parameter calculation with HP module   Anton Gavrikov
  • [QE-users] How does pw.x make the cell choice for space group No.12 with unique axis b ?   连云龙
    • [QE-users] How does pw.x make the cell choice for space group No.12 with unique axis b ?   Paolo Giannozzi
    • [QE-users] How does pw.x make the cell choice for space group No.12 with unique axis b ?   Michal Husak
• [QE-users] Vanderbilt Pseudopotential generation issue   Dr. K. C. Bhamu
  • [QE-users] Vanderbilt Pseudopotential generation issue   Andrii Shyichuk
    • [QE-users] Vanderbilt Pseudopotential generation issue   Dr. K. C. Bhamu
      • [QE-users] Vanderbilt Pseudopotential generation issue   Paolo Giannozzi
• [QE-users] Plasma Frequency at Epsilon.x and simple.x codes   Anibal Thiago Bezerra
• [QE-users] qe6.6 is not writing wavefunctions in tmp dir   Dr. K. C. Bhamu
• [QE-users] Quantm-espresso calculates the energy band of two-dimensionalmaterials by HSE+WANNIER90   1746278616
• [QE-users] Negative frequencies in Raman spectroscopy calculation   Soumyadeep
• [QE-users] Pseudopotential not readable   Pooja Vyas
  • [QE-users] Pseudopotential not readable   Pietro Delugas
    • [QE-users] Pseudopotential not readable   Pooja Vyas
• [QE-users] error regrading valence+core charge density plot   SOUMYAKANTA PANDA
  • [QE-users] error regrading valence+core charge density plot   Marcelo Albuquerque
• [QE-users] [ge-GPU] compiling q-e-gpu-qe-gpu-6.7   Mohammad Moaddeli
  • [QE-users] [ge-GPU] compiling q-e-gpu-qe-gpu-6.7   Pietro Bonfa'
    • [QE-users] [ge-GPU] compiling q-e-gpu-qe-gpu-6.7   Mohammad Moaddeli
      • [QE-users] [ge-GPU] compiling q-e-gpu-qe-gpu-6.7   Pietro Bonfa'
      • [QE-users] [ge-GPU] compiling q-e-gpu-qe-gpu-6.7   Mohammad Moaddeli
• [QE-users] Error while running bands.x   Manoar Hossain
  • [QE-users] Error while running bands.x   Paolo Giannozzi
• [QE-users] EPW Electron Linewidth   Stephen Zhang
• [QE-users] Stop Error Reading File Header   Fariba Islam
• [QE-users] How to optimize degauss and K point - reg   singaravelan T R
• [QE-users] xml data file not found in Car-Parrinello molecular dynamics   Wei Chen
  • [QE-users] xml data file not found in Car-Parrinello molecular dynamics   Paolo Giannozzi
• [QE-users] Error in VCA with QE v6.6 (virtual_v2.x)   Soumyadeep
  • [QE-users] Error in VCA with QE v6.6 (virtual_v2.x)   Pietro Delugas
    • [QE-users] Error in VCA with QE v6.6 (virtual_v2.x)   Paolo Giannozzi
      • [QE-users] Error in VCA with QE v6.6 (virtual_v2.x)   Pietro Delugas
• [QE-users] definition of the hyperfine coupling constant in QE-GIPAW   Gregor Mali
  • [QE-users] definition of the hyperfine coupling constant in QE-GIPAW   Davide Ceresoli
    • [QE-users] definition of the hyperfine coupling constant in QE-GIPAW   Gregor Mali
• [QE-users] QE - v 6.7 is not installing in my pc correctly   Mainak Ghosh
• [QE-users] Problem in scf convergence of goethite slab   Diship Srivastava
• [QE-users] GHz calculation with QE   Mahdi Faghihnasiri
  • [QE-users] GHz calculation with QE   Michal Krompiec
• [QE-users] Error in routine openfilq (1): file $prefix.bar not found   Soumyadeep
• [QE-users] Error in converting fhi2upf.x with QE-6.5 (blank output file)   Soumyadeep
  • [QE-users] Error in converting fhi2upf.x with QE-6.5 (blank output file)   Paolo Giannozzi
    • [QE-users] Error in converting fhi2upf.x with QE-6.5 (blank output file)   Soumyadeep
• [QE-users] (no subject)   Mainak Ghosh
• [QE-users] two version of QE in serial environment   Mainak Ghosh
  • [QE-users] two version of QE in serial environment   Husak Michal
• [QE-users] mode missing in phonon dos   Christoph Wolf
• [QE-users] Occupations while vc-relax calculation   Mainak Ghosh
  • [QE-users] Occupations while vc-relax calculation   Giuseppe Mattioli
• [QE-users] Hubbard parameter for gamma point calculations   Diship Srivastava
  • [QE-users] Hubbard parameter for gamma point calculations   Lorenzo Paulatto
• [QE-users] full relativistic calculation.   eitan eidelstein
• [QE-users] Internal Problem with K-Points?   Stephen Zhang
  • [QE-users] Internal Problem with K-Points?   박민규
• [QE-users] Error regarding LDA+U+SOC calculation   SOUMYAKANTA PANDA
  • [QE-users] Error regarding LDA+U+SOC calculation   Iurii TIMROV
    • [QE-users] Error regarding LDA+U+SOC calculation   SOUMYAKANTA PANDA
      • [QE-users] Error regarding LDA+U+SOC calculation   Iurii TIMROV
      • [QE-users] Error regarding LDA+U+SOC calculation   SOUMYAKANTA PANDA
      • [QE-users] Error regarding LDA+U+SOC calculation   Iurii TIMROV
      • [QE-users] Error regarding LDA+U+SOC calculation   SOUMYAKANTA PANDA
      • [QE-users] Error regarding LDA+U+SOC calculation   Giuseppe Mattioli
      • [QE-users] Error regarding LDA+U+SOC calculation   SOUMYAKANTA PANDA
• [QE-users] necessity of U for OER   Dr. K. C. Bhamu
• [QE-users] PAW compensation charge density   Jingyang Wang
  • [QE-users] PAW compensation charge density   Paolo Giannozzi
• [QE-users] Report on a Bug in plotband.x   Jibiao Li
  • [QE-users] Report on a Bug in plotband.x   Paolo Giannozzi
• [QE-users] PGI compiler for GPU based compiler.   Anupriya Nyayban
  • [QE-users] PGI compiler for GPU based compiler.   Giuseppe Mattioli
  • [QE-users] PGI compiler for GPU based compiler.   Anupriya Nyayban
• [QE-users] I have failed to reproduce phonon DOS of germanium   mkondrin
  • [QE-users] I have failed to reproduce phonon DOS of germanium   Paolo Giannozzi
    • [QE-users] I have failed to reproduce phonon DOS of germanium   mkondrin
      • [QE-users] I have failed to reproduce phonon DOS of germanium   mkondrin
• [QE-users] Quantum Espresso Hackathon 2021   Pietro Delugas
• [QE-users] Choosing the Right Number of Bands for Wannier90   Stephen Zhang
• [QE-users] Number of iteration for PAW pseudopotential   Pooja Vyas
  • [QE-users] Number of iteration for PAW pseudopotential   Pooja Vyas
• [QE-users] need help, QE parallel execution is not working properly   Mainak Ghosh
• [QE-users] need help, QE parallel is working voidly   Mainak Ghosh
• [QE-users] Regarding checking k point convergence   Satyasiban Dash ph19d005
• [QE-users] Replace vacuum with virtual environment of different permittivity   Rakesh Pradhan
  • [QE-users] Replace vacuum with virtual environment of different permittivity   Nicola Marzari
• [QE-users] Phonon PARTIAL dos   Sohail Ahmad
  • [QE-users] Phonon PARTIAL dos   mkondrin at hppi.troitsk.ru
• [QE-users] kpoints generation in bands calculation using kpoints.x binary   Sitangshu Bhattacharya
  • [QE-users] kpoints generation in bands calculation using kpoints.x binary   Lorenzo Paulatto
• [QE-users] Energy for Cells of Different Charge   Robert Stanton
  • [QE-users] Energy for Cells of Different Charge   Tamas Karpati
    • [QE-users] Energy for Cells of Different Charge   Robert Stanton
      • [QE-users] Energy for Cells of Different Charge   Tamas Karpati
      • [QE-users] Energy for Cells of Different Charge   Robert Stanton
      • [QE-users] Energy for Cells of Different Charge   Tamas Karpati
• [QE-users] Ph.x crashing on multiple nodes   Baer, Bradly
• [QE-users] Nonlinear Core Correction   Andrew Xu
  • [QE-users] Nonlinear Core Correction   Zeeshan Ahmad
  • [QE-users] Nonlinear Core Correction   Andrew Xu
• [QE-users] Error while parsing atomic position card   Bhumika Longakshi
  • [QE-users] Error while parsing atomic position card   Javier GONZALEZ PLATAS
    • [QE-users] Error while parsing atomic position card   Bhumika Longakshi
  • [QE-users] Error while parsing atomic position card   Stefano Baroni
    • [QE-users] Error while parsing atomic position card   Bhumika Longakshi
• [QE-users] qe-6.3 to 6.6: crash of fs.x   patrizio.graziosi at cnr.it
  • [QE-users] qe-6.3 to 6.6: crash of fs.x   Paolo Giannozzi
    • [QE-users] qe-6.3 to 6.6: crash of fs.x   patrizio.graziosi at cnr.it
      • [QE-users] qe-6.3 to 6.6: crash of fs.x   Paolo Giannozzi
      • [QE-users] qe-6.3 to 6.6: crash of fs.x   patrizio.graziosi at cnr.it
• [QE-users] DFPT of 2D polar materials   ygxu17 at fudan.edu.cn
• [QE-users] Compiling QE with libxc support   mkondrin
  • [QE-users] Compiling QE with libxc support   mkondrin
    • [QE-users] Compiling QE with libxc support   Fabrizio Ferrari
      • [QE-users] Compiling QE with libxc support   mkondrin
      • [QE-users] Compiling QE with libxc support   Fabrizio Ferrari
      • [QE-users] Compiling QE with libxc support   mkondrin
      • [QE-users] Compiling QE with libxc support   mkondrin
• [QE-users] GPU enabled QE not running   Rahul Verma
  • [QE-users] GPU enabled QE not running   Pietro Bonfa'
    • [QE-users] GPU enabled QE not running   Rahul Verma
      • [QE-users] GPU enabled QE not running   Pietro Bonfa'
      • [QE-users] GPU enabled QE not running   Rahul Verma
      • [QE-users] GPU enabled QE not running   Pietro Bonfa'
• [QE-users] 01 PhD position available in ab-initio non-linear spectroscopy   Sitangshu Bhattacharya
• [QE-users] Error installing Quantum Espresso on macOS Big Slur   Arka Prava Sarkar
  • [QE-users] Error installing Quantum Espresso on macOS Big Slur   Paolo Giannozzi
    • [QE-users] Error installing Quantum Espresso on macOS Big Slur   Arka Prava Sarkar
• [QE-users] band gap of bilayer graphene   Roozbeh Anvari

Last message date: Thu Dec 31 16:00:39 CET 2020
Archived on: Thu Dec 31 16:00:50 CET 2020

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