January 2020 Archives by thread

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Starting: Wed Jan 1 12:10:27 CET 2020
Ending: Thu Jan 30 07:08:29 CET 2020
Messages: 157

• [QE-users] some queries about mono layer optimization and vacuum   rekha sharma
  • [QE-users] some queries about mono layer optimization and vacuum   Lucas Nicolás Lodeiro Moraga
    • [QE-users] some queries about mono layer optimization and vacuum   rekha sharma
      • [QE-users] some queries about mono layer optimization and vacuum   rekha sharma
      • [QE-users] some queries about files to plot electrostatic potential for a mono/bi layer   rekha sharma
• [QE-users] Bader Charges for a Spin-Polarized System   Victor Bermudez
  • [QE-users] Bader Charges for a Spin-Polarized System   Alberto Otero de la Roza
• [QE-users] Phonon not converging   Mayuri Bora
• [QE-users] Does order of atoms matter in Quantum Espresso?   Paolo Giannozzi
  • [QE-users] Does order of atoms matter in Quantum Espresso?   Sheikh Ziauddin Ahmed
• [QE-users] Polarization   Bruno Dandogbessi
• [QE-users] How to calculate the dI/dV (STS)   Christoph Wolf
  • [QE-users] How to calculate the dI/dV (STS)   Dr. Thomas Brumme
    • [QE-users] How to calculate the dI/dV (STS)   Christoph Wolf
      • [QE-users] How to calculate the dI/dV (STS)   Thomas Brumme
• [QE-users] plots of electrostatic potential does not looks good   rekha sharma
  • [QE-users] plots of electrostatic potential does not looks good   dv009200 at fh-muenster.de
    • [QE-users] plots of electrostatic potential does not looks good   rekha sharma
• [QE-users] ESM bc1, contra-ions charges   Kaňka Jiří
• [QE-users] Intel MKL vs AMD BLIS 2   Pamela Whitfield
• [QE-users] (no subject)   Pooja Vyas
  • [QE-users] (no subject)   Christian Crisostomo
  • [QE-users] (no subject)   角野 樹
    • [QE-users] (no subject)   Paolo Giannozzi
• [QE-users] Calculation of energy due to vacancy   Pooja Vyas
  • [QE-users] Calculation of energy due to vacancy   Tone Kokalj
• [QE-users] energy due to vacancy   Pooja Vyas
  • [QE-users] energy due to vacancy   Laurent Pizzagalli
    • [QE-users] energy due to vacancy   Pooja Vyas
      • [QE-users] energy due to vacancy   Tone Kokalj
  • [QE-users] energy due to vacancy   Matic
• [QE-users] phonon dispersion relation from the full IFCs   jqhuang16b at imr.ac.cn
  • [QE-users] phonon dispersion relation from the full IFCs   Stefano Baroni
    • [QE-users] phonon dispersion relation from the full IFCs   jqhuang16b at imr.ac.cn
      • [QE-users] phonon dispersion relation from the full IFCs   Lorenzo Paulatto
      • [QE-users] phonon dispersion relation from the full IFCs   jqhuang16b at imr.ac.cn
      • [QE-users] phonon dispersion relation from the full IFCs   Lorenzo Paulatto
      • [QE-users] phonon dispersion relation from the full IFCs   jqhuang16b at imr.ac.cn
      • [QE-users] phonon dispersion relation from the full IFCs   Stefano Baroni
      • [QE-users] phonon dispersion relation from the full IFCs   jqhuang16b at imr.ac.cn
      • [QE-users] phonon dispersion relation from the full IFCs   Lorenzo Paulatto
• [QE-users] Phonon dispersion of III-V superlattice   Sheikh Ziauddin Ahmed
• [QE-users] energy calculation   Pooja Vyas
  • [QE-users] energy calculation   Tone Kokalj
    • [QE-users] energy calculation   Pooja Vyas
  • [QE-users] energy calculation   Paolo Giannozzi
    • [QE-users] energy calculation   Pooja Vyas
      • [QE-users] energy calculation   Sonu Kumar
      • [QE-users] energy calculation   Tone Kokalj
      • [QE-users] energy calculation   Bruno Dandogbessi
  • [QE-users] Energy calculation   Pooja Vyas
    • [QE-users] Energy calculation   Laurent Pizzagalli
      • [QE-users] Energy calculation   Pooja Vyas
      • [QE-users] Energy calculation   Manu Hegde
      • [QE-users] Energy calculation   Premkumar Thirumalaisamy
      • [QE-users] Energy calculation   Pooja Vyas
• [QE-users] 转发：QE6.4 with epw5.1(BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES )   悄悄
• [QE-users] QE6.4 with epw5.1(BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES )   袁志红
  • [QE-users] QE6.4 with epw5.1(BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES )   Paolo Giannozzi
    • [QE-users] QE6.4 with epw5.1(BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES )   袁志红
      • [QE-users] QE6.4 with epw5.1(BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES )   Paolo Giannozzi
      • [QE-users] QE6.4 with epw5.1(BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES )   袁志红
• [QE-users] Question About "Atom Charges"   Victor Bermudez
  • [QE-users] Question About "Atom Charges"   Paolo Giannozzi
• [QE-users] Semi-conductor Calculations   Vipul Shivaji Ghemud
• [QE-users] Band unfolding code recommendations   Dominik Gresch
  • [QE-users] Band unfolding code recommendations   Oleksandr Motornyi
    • [QE-users] Band unfolding code recommendations   Pietro Bonfà
      • [QE-users] Band unfolding code recommendations   Andrea Ferretti
      • [QE-users] Band unfolding code recommendations   Pietro Delugas
      • [QE-users] Band unfolding code recommendations   Dominik Gresch
• [QE-users] Polarization of 2D Ferroelectric Berry Phase Method   Atanu Kumar Saha
• [QE-users] Enquiries About Quantum Espresso (Installation & Operation)   elmoselhy at netscape.net
  • [QE-users] Enquiries About Quantum Espresso (Installation & Operation)   Giuseppe Mattioli
    • [QE-users] Enquiries About Quantum Espresso (Installation & Operation)   Paolo Giannozzi
    • [QE-users] Enquiries About Quantum Espresso (Installation & Operation)   Stefano Baroni
• [QE-users] Negative Core Electron Binding Energy   Ayestaran Latorre, Carlos
  • [QE-users] Negative Core Electron Binding Energy   Giuseppe Mattioli
• [QE-users] qe-6.5 can not run   王少锋（Shaofeng）
  • [QE-users] qe-6.5 can not run   Paolo Giannozzi
• [QE-users] Possible bug in QE6.5 when calculating DOS using mGGA functions   Shoaib Muhammad
  • [QE-users] Possible bug in QE6.5 when calculating DOS using mGGA functions   Fabrizio Ferrari
  • [QE-users] Possible bug in QE6.5 when calculating DOS using mGGA functions   Paolo Giannozzi
• [QE-users] convergence criterion?   Matthew Marcus
  • [QE-users] convergence criterion?   Matic
    • [QE-users] convergence criterion?   Nicola Marzari
• [QE-users] oscillating pressure during vc-relax   Matthew Marcus
  • [QE-users] oscillating pressure during vc-relax   Paolo Giannozzi
• [QE-users] Can i determine fracture point when applying strain?   Hunar Rashid
• [QE-users] ph.x is hard to converge   王少锋（Shaofeng）
  • [QE-users] ph.x is hard to converge   Timrov Iurii
• [QE-users] Current state of parallelization methods (in-QE vs. library OMP/ELPA)   Felix Mayr
• [QE-users] AiiDA Hackathon: developing code plugins and robust scientific workflows @ Cineca, Bologna, Italy   Nicola Marzari
• [QE-users] Error compiling qe5.1 linked to libbeef-v0.1.1, “Nonexistent include directory .. [-Wmissing-include-dirs]”   Delgado DelgadoJorge
• [QE-users] SCF Preconditioning?   Ben Comer
  • [QE-users] SCF Preconditioning?   pboulet
• [QE-users] negative phonon frequencies for InAs in QE 6.5   Sheikh Ziauddin Ahmed
  • [QE-users] negative phonon frequencies for InAs in QE 6.5   Paolo Giannozzi
    • [QE-users] negative phonon frequencies for InAs in QE 6.5   Sheikh Ziauddin Ahmed
• [QE-users] How to use SCAN functional   Valentina Cantatore
  • [QE-users] How to use SCAN functional   Claudio A. Perottoni
  • [QE-users] How to use SCAN functional   Fabrizio Ferrari
• [QE-users] Regarding supercell   Pooja Vyas
• [QE-users] did the meaning of conv_thr change in pwscf 6.5?   Christoph Wolf
  • [QE-users] did the meaning of conv_thr change in pwscf 6.5?   Paolo Giannozzi
• [QE-users] Flat band structure   Leo Yang
• [QE-users] Mailing list problems   Paolo Giannozzi
• [QE-users] QE 6.4 Error signal SIGSEGV: Segmentation fault invalid memory reference - Pt12-Rh cluster relax calculation   barunachalam
  • [QE-users] QE 6.4 Error signal SIGSEGV: Segmentation fault invalid memory reference - Pt12-Rh cluster relax calculation   Paolo Giannozzi
• [QE-users] mod value in polarization calculation with Berry phase   michel at if.usp.br
• [QE-users] NiO band structure and density of states   Poonam Kaushik
  • [QE-users] NiO band structure and density of states   Timrov Iurii
    • [QE-users] NiO band structure and density of states   Premkumar Thirumalaisamy
• [QE-users] Expectation values of total angular momentum in SOC case   Thomas Brumme
  • [QE-users] Expectation values of total angular momentum in SOC case   Lorenzo Paulatto
    • [QE-users] Expectation values of total angular momentum in SOC case   Thomas Brumme
      • [QE-users] Expectation values of total angular momentum in SOC case   Guido Menichetti
      • [QE-users] Expectation values of total angular momentum in SOC case   Lorenzo Paulatto
      • [QE-users] Expectation values of total angular momentum in SOC case   Thomas Brumme
      • [QE-users] Expectation values of total angular momentum in SOC case   Thomas Brumme
      • [QE-users] Expectation values of total angular momentum in SOC case   Paolo Giannozzi
      • [QE-users] Expectation values of total angular momentum in SOC case   Thomas Brumme
      • [QE-users] Expectation values of total angular momentum in SOC case   Thomas Brumme
      • [QE-users] Expectation values of total angular momentum in SOC case   Thomas Brumme
• [QE-users] users Digest, Vol 150, Issue 21   Poonam Kaushik
  • [QE-users] users Digest, Vol 150, Issue 21   THE LEGEND GAMER
  • [QE-users] users Digest, Vol 150, Issue 21   Timrov Iurii
• [QE-users] phonon pdos at GAMMA point   FARAH MARSUSI
• [QE-users] Physical constants conversion inconsistency   Sonu Kumar
  • [QE-users] Physical constants conversion inconsistency   Giovanni Cantele
    • [QE-users] Physical constants conversion inconsistency   Paolo Giannozzi
      • [QE-users] Physical constants conversion inconsistency   Bidault, Xavier
      • [QE-users] Physical constants conversion inconsistency   Paolo Giannozzi
      • [QE-users] Physical constants conversion inconsistency   Sonu Kumar
      • [QE-users] Physical constants conversion inconsistency   Paolo Giannozzi
      • [QE-users] Physical constants conversion inconsistency   Sonu Kumar
    • [QE-users] Physical constants conversion inconsistency   Sonu Kumar
• [QE-users] charge-density file   Offermans Willem
  • [QE-users] charge-density file   Paolo Giannozzi
• [QE-users] Ice vibrational density of states   p ul
  • [QE-users] Ice vibrational density of states   Lorenzo Paulatto
    • [QE-users] Ice vibrational density of states   p ul
• [QE-users] 回复: users Digest, Vol 150, Issue 14   王少锋（Shaofeng）
  • [QE-users] 回复: users Digest, Vol 150, Issue 14   Paolo Giannozzi
• [QE-users] NaN in Calculation of electron phonon coupling constant and Tc   Amit Patel
• [QE-users] Band_structure _NiO   Poonam Kaushik
• [QE-users] error from fqha.x   sha.liu
• [QE-users] Time constant of Nose-Hoover chain   Sergio Castaneda Ramirez
  • [QE-users] Time constant of Nose-Hoover chain   Leonid Kahle
• [QE-users] software   THE LEGEND GAMER
• [QE-users] Installation finishes with only warnings (about memmove), but all of the test fails.   Shunsuke Fujisawa
  • [QE-users] Installation finishes with only warnings (about memmove), but all of the test fails.   Paolo Giannozzi
    • [QE-users] Installation finishes with only warnings (about memmove), but all of the test fails.   Shunsuke Fujisawa
• [QE-users] Issue with Fermi energies during a nscf calculation with SOC   LE-LAURENT Ludovic
• [QE-users] hello   PREMLATA NARWARIA
• [QE-users] relaxation of the atomic positions in monolayer   후신 부지드
• [QE-users] matdyn.modes phonon eigenvectors unit   Wei Zhang

Last message date: Thu Jan 30 07:08:29 CET 2020
Archived on: Thu Jan 30 07:06:44 CET 2020

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