October 2019 Archives by thread

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Starting: Tue Oct 1 10:45:50 CEST 2019
Ending: Thu Oct 31 10:18:24 CET 2019
Messages: 154

• [QE-users] unit of dynamical matrix   涉旭
  • [QE-users] unit of dynamical matrix   Stefano de Gironcoli
    • [QE-users] 回复： unit of dynamical matrix   涉旭
      • [QE-users] 回复： unit of dynamical matrix   涉旭
      • [QE-users] 回复： unit of dynamical matrix   Stefano de Gironcoli
    • [QE-users] 回复： unit of dynamical matrix   涉旭
      • [QE-users] 回复： 回复： unit of dynamical matrix   涉旭
• [QE-users] visualising vibrations from the results of phonon calculations   Nicola Marzari
• [QE-users] Degauss vlaue   Pooja Vyas
  • [QE-users] 回复: Degauss vlaue   Zhou Jianqiang
• [QE-users] degauss and smearing   Pooja Vyas
  • [QE-users] 回复: degauss and smearing   Zhou Jianqiang
  • [QE-users] degauss and smearing   Nicola Marzari
• [QE-users] Question about Quantum Espresso   Pooja Vyas
  • [QE-users] Question about Quantum Espresso   Giuseppe Mattioli
• [QE-users] band convergece problem in charged system   Leo Yang
  • [QE-users] band convergece problem in charged system   Thomas Brumme
    • [QE-users] band convergece problem in charged system   Leo Yang
• [QE-users] PP.x plot screening and xc   Antoine Jay
• [QE-users] weird errors when linking with libxc   José Carlos Conesa Cegarra
  • [QE-users] weird errors when linking with libxc   Fabrizio Ferrari
• [QE-users] Calculation of Charge transfer   l.eslami at srbiau.ac.ir
• [QE-users] [SUSPECT ATTACHMENT REMOVED] error opening xml data file   Maxim Arsentev
• [QE-users] from pw_readfile : error # 1, error opening xml data file   Maxim Arsentev
  • [QE-users] from pw_readfile : error # 1, error opening xml data file   Paolo Giannozzi
• [QE-users] ld1.x ERROR(FoX) Cannot open file   Offermans Willem
  • [QE-users] ld1.x ERROR(FoX) Cannot open file   Pietro Delugas
    • [QE-users] ld1.x ERROR(FoX) Cannot open file   Offermans Willem
• [QE-users] from pw_readfile : error # 1, error opening xml data file (too heavy task)   Maxim Arsentev
  • [QE-users] from pw_readfile : error # 1, error opening xml data file (too heavy task)   Sonu Kumar
• [QE-users] Relaxation of Tungsten disulfide (WS2)   Ankit Sirohi
  • [QE-users] Relaxation of Tungsten disulfide (WS2)   Lorenzo Paulatto
    • [QE-users] Relaxation of Tungsten disulfide (WS2)   Ankit Sirohi
• [QE-users] Strange frequencies hard to interpret   Jibiao Li
• [QE-users] epsilon.x returns infinity and NAN in epsr and epsi   Anibal Bezerra
• [QE-users] Epsilon.x - metalcalc variable.   Anibal Bezerra
• [QE-users] force constant   David Kostov
  • [QE-users] force constant   Lorenzo Paulatto
    • [QE-users] force constant   David Kostov
      • [QE-users] force constant   David Kostov
      • [QE-users] force constant   Lorenzo Paulatto
      • [QE-users] force constant   David Kostov
      • [QE-users] force constant   Lorenzo Paulatto
      • [QE-users] force constant   David Kostov
      • [QE-users] force constant   Lorenzo Paulatto
      • [QE-users] force constant   David Kostov
• [QE-users] Post-Doc in QE development   Paolo Giannozzi
• [QE-users] IR and RAMAN using Q.E. code.   Vipin Kumar
• [QE-users] Problems with forc_conv_thr.   Vasilios Passias
  • [QE-users] Problems with forc_conv_thr.   Paolo Giannozzi
• [QE-users] Negative dr2 error in DFT+U   Dominik Gresch
  • [QE-users] Negative dr2 error in DFT+U   Timrov Iurii
• [QE-users] Scaling factor for   Siebe Vanlommel
  • [QE-users] Scaling factor for   Offermans Willem
    • [QE-users] Scaling factor for   Siebe Vanlommel
      • [QE-users] Scaling factor for   Matic
• [QE-users] Computer dependent phonon frequencies   Jibiao Li
  • [QE-users] Computer dependent phonon frequencies   Paolo Giannozzi
    • [QE-users] Computer dependent phonon frequencies   Jibiao Li
      • [QE-users] Computer dependent phonon frequencies   Leonid Kahle
      • [QE-users] Computer dependent phonon frequencies   Paolo Giannozzi
• [QE-users] Question regarding resource control for QE calculation   Yeon, Jejoon
• [QE-users] Regarding initialization of elastic constants for NEB code   Jana, Soumyajit
  • [QE-users] Regarding initialization of elastic constants for NEB code   Tone Kokalj
    • [QE-users] Regarding initialization of elastic constants for NEB code   Jana, Soumyajit
      • [QE-users] Regarding initialization of elastic constants for NEB code   Jana, Soumyajit
• [QE-users] Problem with electrostatic potential computation   Abhirup Patra
  • [QE-users] Problem with electrostatic potential computation   Paolo Giannozzi
    • [QE-users] Problem with electrostatic potential computation   Abhirup Patra
• [QE-users] What Is Estimated SCF Accuracy   Ben Comer
  • [QE-users] What Is Estimated SCF Accuracy   Stefano de Gironcoli
• [QE-users] qi in turbo_eels   Masum Alihosseini
  • [QE-users] qi in turbo_eels   Timrov Iurii
• [QE-users] Building a 2D crystal.   Ankit Sirohi
• [QE-users] Fwd: a weird problem to run pw.x in QE6.4.1   王宏伟
  • [QE-users] Fwd: a weird problem to run pw.x in QE6.4.1   Hari Paudyal
  • [QE-users] Fwd: a weird problem to run pw.x in QE6.4.1   Mohammad Moaddeli
    • [QE-users] Fwd: a weird problem to run pw.x in QE6.4.1   Paolo Giannozzi
• [QE-users] Dissociation energy of vacancies in solids   mehrdad zamzamian
• [QE-users] low band gap for heavy element containing compound   Maxim Arsentev
  • [QE-users] low band gap for heavy element containing compound   Andrey Chibisov
• [QE-users] NV0 Center - Absolute Magnetization   Brendan Smith
  • [QE-users] NV0 Center - Absolute Magnetization   Christoph Wolf
  • [QE-users] NV0 Center - Absolute Magnetization   Paolo Giannozzi
• [QE-users] Some issues with QE 6.4.1   Ranasinghe, Jayangani
  • [QE-users] Some issues with QE 6.4.1   Paolo Giannozzi
• [QE-users] users Digest, Vol 147, Issue 13   Mayuri Bora
• [QE-users] Computational School on Electronic Excitations in Novel Materials Using the Yambo Code   Andrea Ferretti
• [QE-users] Constraints linear geometry   Julien Claudot
  • [QE-users] Constraints linear geometry   Paolo Giannozzi
• [QE-users] On the use of the modified Becke-Johnson (TB09) functional   Fabio Costa
  • [QE-users] On the use of the modified Becke-Johnson (TB09) functional   Fabrizio Ferrari
    • [QE-users] On the use of the modified Becke-Johnson (TB09) functional   Fabio Costa
      • [QE-users] On the use of the modified Becke-Johnson (TB09) functional   Paolo Giannozzi
• [QE-users] K points in QE-6.4.1   Sayan Banerjee
  • [QE-users] K points in QE-6.4.1   Pietro Delugas
  • [QE-users] K points in QE-6.4.1   Paolo Giannozzi
• [QE-users] zero-point energy (ZPE) correction   thorgalg
  • [QE-users] zero-point energy (ZPE) correction   Weitzner, Stephen Eric
    • [QE-users] zero-point energy (ZPE) correction   thorgalg
      • [QE-users] zero-point energy (ZPE) correction   Jibiao Li
• [QE-users] a.u. force conversion   Robert Stanton
  • [QE-users] a.u. force conversion   Stefano de Gironcoli
• [QE-users] Calculate el-ph interactions from external IFCs   Hao Gao
• [QE-users] Regarding Electron - phonon interaction   mohaddeseh abbasnejad
• [QE-users] NEB calculation issue with 'fixed' atoms   Laurent Pizzagalli
  • [QE-users] NEB calculation issue with 'fixed' atoms   Pietro Delugas
    • [QE-users] NEB calculation issue with 'fixed' atoms   Giuseppe Mattioli
      • [QE-users] NEB calculation issue with 'fixed' atoms   Laurent Pizzagalli
    • [QE-users] NEB calculation issue with 'fixed' atoms   Laurent Pizzagalli
• [QE-users] input file format for earlier QE versions   José Carlos Conesa Cegarra
  • [QE-users] input file format for earlier QE versions   Paolo Giannozzi
• [QE-users] LDA+U U value calculation   Leo Yang
  • [QE-users] LDA+U U value calculation   Timrov Iurii
• [QE-users] High k-point density memory estimates   Eric Glen Suter
  • [QE-users] High k-point density memory estimates   Paolo Giannozzi
• [QE-users] Problem with Plotting Fermi Surfaces   Shima Sharifi
  • [QE-users] Problem with Plotting Fermi Surfaces   Shima Sharifi
• [QE-users] users Digest, Vol 146, Issue 20   Haider Abbas
  • [QE-users] users Digest, Vol 146, Issue 20   Paolo Giannozzi
• [QE-users] CFP :International Journal of Recent advances in Physics (IJRAP) November 2019, Volume 8, Number 4   jin soo
  • [QE-users] CFP :International Journal of Recent advances in Physics (IJRAP) November 2019, Volume 8, Number 4   Stefano Baroni
• [QE-users] [SUSPECT ATTACHMENT REMOVED] Floating underflow in QE6.4.1 under Linux when running examples   Matthew Marcus
  • [QE-users] [SUSPECT ATTACHMENT REMOVED] Floating underflow in QE6.4.1 under Linux when running examples   Paolo Giannozzi
• [QE-users] Projwfc issue   Anibal Bezerra
  • [QE-users] Projwfc issue   Pietro Delugas
• [QE-users] ZPE correction   thorgalg
• [QE-users] Increasing NSX Problems?   Ben Comer
• [QE-users] problems converging a SOC magnetization in a molecule   Christoph Wolf
• [QE-users] Can QE be used to compute electronic conductance of explosive gas products?   Dick Martin
  • [QE-users] Can QE be used to compute electronic conductance of explosive gas products?   Dick Martin
• [QE-users] Phonon modes mistakes   wang1968000
• [QE-users] Two doctoral/postdoctoral positions, THEOS at EPFL   Nicola Marzari
• [QE-users] Band structure with hybrid functionals   Dominik Gresch
  • [QE-users] Band structure with hybrid functionals   Vahid Askarpour
    • [QE-users] Band structure with hybrid functionals   Vahid Askarpour
      • [QE-users] Band structure with hybrid functionals   Dominik Gresch
      • [QE-users] Band structure with hybrid functionals   Vahid Askarpour
  • [QE-users] Band structure with hybrid functionals   Giovanni Pizzi
    • [QE-users] Band structure with hybrid functionals   Dominik Gresch
• [QE-users] unit of noncollinear magnetization and exchange correlation magnetic field   Andrey Chibisov
• [QE-users] Installing QE_GPU   Mohammad Moaddeli
  • [QE-users] Installing QE_GPU   Pietro Davide Delugas
• [QE-users] units of q points in matdyn.in files to calculate phonon dispersion   w
  • [QE-users] units of q points in matdyn.in files to calculate phonon dispersion   Hari Paudyal
• [QE-users] Energy corrections for adsorption study of hydrogen molecule   ‍강동우[학생](대학원 화학공학과)
• [QE-users] New XCRYSDEN version: 1.6.2   Tone Kokalj
• [QE-users] How to plot phonon band structure with LO-TO splitting   Dr. K. C. Bhamu
• [QE-users] Gamma point phonon calculation is not consistent   wang1968000
  • [QE-users] Gamma point phonon calculation is not consistent   Paolo Giannozzi
• [QE-users] Problem with SOC   David Kostov
• [QE-users] QE for KGEC   LEUNG Clarence
  • [QE-users] QE for KGEC   Paolo Giannozzi
• [QE-users] Error in installation of QE6.0   LEUNG Clarence

Last message date: Thu Oct 31 10:18:24 CET 2019
Archived on: Thu Oct 31 10:19:09 CET 2019

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