December 2019 Archives by thread

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Starting: Mon Dec 2 11:03:47 CET 2019
Ending: Tue Dec 31 15:06:37 CET 2019
Messages: 139

• [QE-users] wavefunctions writing   Ivo Batistic
  • [QE-users] wavefunctions writing   Pietro Delugas
    • [QE-users] wavefunctions writing   Ivo Batistic
      • [QE-users] wavefunctions writing   Pietro Delugas
      • [QE-users] wavefunctions writing   Pietro Delugas
      • [QE-users] wavefunctions writing   Ivo Batistic
      • [QE-users] wavefunctions writing   Ivo Batistic
      • [QE-users] wavefunctions writing   Pietro Delugas
      • [QE-users] wavefunctions writing   Paolo Giannozzi
      • [QE-users] wavefunctions writing   Ivo Batistic
• [QE-users] Fermi level and energy difference between identically charged cells   Julien Barbaud
• [QE-users] QE： q2r.x error：forrtl: severe (64): input conversion error, unit 51, file /elph_dir/a2Fq2r.51.1   guohao829
  • [QE-users] QE： q2r.x error：forrtl: severe (64): input conversion error, unit 51, file /elph_dir/a2Fq2r.51.1   Paolo Giannozzi
• [QE-users] Quantum ESPRESSO Partial charges?   Sabike Ghasemi
  • [QE-users] Quantum ESPRESSO Partial charges?   Paolo Giannozzi
• [QE-users] electric field units   Giovanni Cantele
  • [QE-users] electric field units   Paolo Giannozzi
    • [QE-users] electric field units   Giovanni Cantele
• [QE-users] elements contribution in projected band structure   후신 부지드
  • [QE-users] elements contribution in projected band structure   Giovanni Cantele
  • [QE-users] elements contribution in projected band structure   TIMOTHY UTO
• [QE-users] Overlapping of different atoms   Rodolfo Tartaglia
  • [QE-users] Overlapping of different atoms   Arles V. Gil Rebaza
    • [QE-users] Overlapping of different atoms   Matthew Marcus
  • [QE-users] Overlapping of different atoms   Paolo Giannozzi
    • [QE-users] Overlapping of different atoms   Paolo Giannozzi
• [QE-users] Virtual Crystal Approximation for non-neighboring elements   Fabio Costa
  • [QE-users] Virtual Crystal Approximation for non-neighboring elements   Lorenzo Paulatto
• [QE-users] Problem using SCAN in pp.x   Abhirup Patra
  • [QE-users] Problem using SCAN in pp.x   Fabrizio Ferrari
    • [QE-users] Problem using SCAN in pp.x   Abhirup Patra
    • [QE-users] Problem using SCAN in pp.x   Abhirup Patra
• [QE-users] Error in relaxation   Ubaid Mohd
• [QE-users] Error in routine cdiaghg (3448): S matrix not positive definite   Natalia Kireeva
• [QE-users] GRIR443 benchmark - is it running properly?   Steve Brasier
  • [QE-users] GRIR443 benchmark - is it running properly?   Paolo Giannozzi
    • [QE-users] GRIR443 benchmark - is it running properly?   Steve Brasier
• [QE-users] Job opportunity: scientific software engineer on QE   Francesca Garofalo
• [QE-users] Problem with vc-relax simulation of Pb (cell dimensions are much smaller than they should be)   sarashs
  • [QE-users] Problem with vc-relax simulation of Pb (cell dimensions are much smaller than they should be)   Pietro Bonfà
    • [QE-users] Problem with vc-relax simulation of Pb (cell dimensions are much smaller than they should be)   Marzari Nicola
  • [QE-users] Problem with vc-relax simulation of Pb (cell dimensions are much smaller than they should be)   Paolo Giannozzi
• [QE-users] LDA+U+V inclusion of Hubbard U term on f and d electrons simultaneously   William Hewett
  • [QE-users] LDA+U+V inclusion of Hubbard U term on f and d electrons simultaneously   Matteo Cococcioni
• [QE-users] Quantum ESPRESSO v.6.5   Paolo Giannozzi
  • [QE-users] Quantum ESPRESSO v.6.5   Paolo Giannozzi
• [QE-users] pw.x runs in serial mode   Mahmood Naderan
• [QE-users] qe not finding fftw3.h   Mahmood Naderan
  • [QE-users] qe not finding fftw3.h   Lorenzo Paulatto
    • [QE-users] qe not finding fftw3.h   Mahmood Naderan
      • [QE-users] qe not finding fftw3.h   Lorenzo Paulatto
• [QE-users] Required configuration of desktop computer for DFT calculations   Souvik Biswas
  • [QE-users] Required configuration of desktop computer for DFT calculations   Lorenzo Paulatto
    • [QE-users] Required configuration of desktop computer for DFT calculations   Souvik Biswas
• [QE-users] How to perform K-edge X-ray absorption calculations   Jibiao Li
• [QE-users] problem in lattice parameter search.   Oluş Özbek
• [QE-users] PBC in one dimension   dv009200 at fh-muenster.de
• [QE-users] Error in Calculation of Transmittance of Graphene Nanoribbon System   Ankit Sirohi
• [QE-users] k-point algorithm is not tested yet turbo davidson   Abhirup Patra
  • [QE-users] k-point algorithm is not tested yet turbo davidson   Timrov Iurii
    • [QE-users] k-point algorithm is not tested yet turbo davidson   Abhirup Patra
      • [QE-users] k-point algorithm is not tested yet turbo davidson   Timrov Iurii
      • [QE-users] k-point algorithm is not tested yet turbo davidson   Abhirup Patra
      • [QE-users] k-point algorithm is not tested yet turbo davidson   Abhirup Patra
      • [QE-users] k-point algorithm is not tested yet turbo davidson   Timrov Iurii
      • [QE-users] k-point algorithm is not tested yet turbo davidson   Abhirup Patra
      • [QE-users] k-point algorithm is not tested yet turbo davidson   Timrov Iurii
      • [QE-users] k-point algorithm is not tested yet turbo davidson   Abhirup Patra
      • [QE-users] k-point algorithm is not tested yet turbo davidson   Abhirup Patra
      • [QE-users] k-point algorithm is not tested yet turbo davidson   Timrov Iurii
      • [QE-users] k-point algorithm is not tested yet turbo davidson   Timrov Iurii
• [QE-users] Berry phase calculation of negatively charged NV center   Anil Bilgin
  • [QE-users] Berry phase calculation of negatively charged NV center   Paolo Giannozzi
    • [QE-users] Berry phase calculation of negatively charged NV center   Anil Bilgin
• [QE-users] X-CrysDen atomic position error   Pooja Vyas
  • [QE-users] X-CrysDen atomic position error   Stefano Baroni
  • [QE-users] X-CrysDen atomic position error   Giovanni Cantele
    • [QE-users] X-CrysDen atomic position error   Giovanni Cantele
      • [QE-users] X-CrysDen atomic position error   Pooja Vyas
      • [QE-users] X-CrysDen atomic position error   Offermans Willem
      • [QE-users] X-CrysDen atomic position error   Pooja Vyas
      • [QE-users] X-CrysDen atomic position error   Pooja Vyas
      • [QE-users] X-CrysDen atomic position error   Pooja Vyas
• [QE-users] Vacancy   Pooja Vyas
  • [QE-users] Vacancy   Timothy Willard
    • [QE-users] Vacancy   Premkumar Thirumalaisamy
• [QE-users] QE 6.4 - ions section with calculation=relax is showing Warning Message   barunachalam
  • [QE-users] QE 6.4 - ions section with calculation=relax is showing Warning Message   Andrea Ferretti
    • [QE-users] QE 6.4 - ions section with calculation=relax is showing Warning Message   Paolo Giannozzi
• [QE-users] Error on k dividi et impera   Lorenzo Monacelli
  • [QE-users] Error on k dividi et impera   Paolo Giannozzi
    • [QE-users] Error on k dividi et impera   Lorenzo Monacelli
• [QE-users] Issues with band convergence in a magnetic system   Rishi Bhandia
• [QE-users] Atomic position X-CrysDen   Pooja Vyas
  • [QE-users] Atomic position X-CrysDen   Ajmal Ghan
  • [QE-users] Atomic position X-CrysDen   Offermans Willem
• [QE-users] ph.x can not run   wangshaofeng at iae.ac.cn
  • [QE-users] ph.x can not run   Timrov Iurii
• [QE-users] Problem with SCF including spin-orbit coupling   pboulet
  • [QE-users] Problem with SCF including spin-orbit coupling   Mladenovic Marko
    • [QE-users] Problem with SCF including spin-orbit coupling   pboulet
      • [QE-users] Problem with SCF including spin-orbit coupling   Dr. Thomas Brumme
      • [QE-users] Problem with SCF including spin-orbit coupling   Mladenovic Marko
      • [QE-users] Problem with SCF including spin-orbit coupling   pboulet
      • [QE-users] Problem with SCF including spin-orbit coupling   pboulet
      • [QE-users] Problem with SCF including spin-orbit coupling   Dr. Thomas Brumme
• [QE-users] Large difference between experimental lattice constant and the relaxed one w/ and w/o dft-d3   후신 부지드
  • [QE-users] Large difference between experimental lattice constant and the relaxed one w/ and w/o dft-d3   Mladenovic Marko
• [QE-users] MPI in qe-6.5   Ian Shuttleworth
  • [QE-users] MPI in qe-6.5   Pietro Delugas
    • [QE-users] MPI in qe-6.5   Ian Shuttleworth
      • [QE-users] MPI in qe-6.5   Vinson, John T. (Fed)
      • [QE-users] MPI in qe-6.5   Vinson, John T. (Fed)
• [QE-users] Re Large difference between experimental lattice constant and the relaxed one w/ and w/o dft-d3   후신 부지드
  • [QE-users] Re Large difference between experimental lattice constant and the relaxed one w/ and w/o dft-d3   Mladenovic Marko
• [QE-users] [SPAM] QE6.4 with epw5.1(BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES )   悄悄
• [QE-users] restart phonon calculations   FARAH MARSUSI
• [QE-users] Is this a bug in vc-relax of QE-6.4.1   Jibiao Li
  • [QE-users] Is this a bug in vc-relax of QE-6.4.1   Lorenzo Paulatto
    • [QE-users] Is this a bug in vc-relax of QE-6.4.1   Jibiao Li
      • [QE-users] Is this a bug in vc-relax of QE-6.4.1   Paolo Giannozzi
      • [QE-users] Is this a bug in vc-relax of QE-6.4.1   Mohammad Moaddeli
• [QE-users] 'cell_dofree' and 'relax'   후신 부지드
  • [QE-users] 'cell_dofree' and 'relax'   Lorenzo Paulatto
• [QE-users] Error compiling qe5.1 linked to libbeef-v0.1.1, “Nonexistent include directory .. [-Wmissing-include-dirs]”   Delgado DelgadoJorge
  • [QE-users] Error compiling qe5.1 linked to libbeef-v0.1.1, “Nonexistent include directory .. [-Wmissing-include-dirs]”   Paolo Giannozzi
  • [QE-users] Error compiling qe5.1 linked to libbeef-v0.1.1, “Nonexistent include directory .. [-Wmissing-include-dirs]”   Delgado DelgadoJorge
    • [QE-users] Error compiling qe5.1 linked to libbeef-v0.1.1, “Nonexistent include directory .. [-Wmissing-include-dirs]”   Paolo Giannozzi
• [QE-users] Atomic positions   Pooja Vyas
• [QE-users] problem in running pw.x   Jaiparkash Sorout
  • [QE-users] problem in running pw.x   Offermans Willem
• [QE-users] matrix elements of p   y. pour azar
• [QE-users] Converging a difficult noncollinear calculation (too many bands are not converged)   Christoph Wolf
• [QE-users] Does order of atoms matter in Quantum Espresso?   Sheikh Ziauddin Ahmed
  • [QE-users] Does order of atoms matter in Quantum Espresso?   Andrea Ferretti
    • [QE-users] Does order of atoms matter in Quantum Espresso?   Sheikh Ziauddin Ahmed
  • [QE-users] Does order of atoms matter in Quantum Espresso?   Stefano de Gironcoli
    • [QE-users] Does order of atoms matter in Quantum Espresso?   Sheikh Ziauddin Ahmed
• [QE-users] Magnetic frustration, MAE, and smearing value for 'relax' of supercell   후신 부지드

Last message date: Tue Dec 31 15:06:37 CET 2019
Archived on: Tue Dec 31 15:03:26 CET 2019

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