April 2021 Archives by thread

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Starting: Thu Apr 1 02:27:35 CEST 2021
Ending: Fri Apr 30 16:57:09 CEST 2021
Messages: 149

• [QE-users] U calculation for Cd based material   Sergey Lisenkov
• [QE-users] Failed install of executables on Mac   Dario Massa
  • [QE-users] Failed install of executables on Mac   Arka Prava Sarkar
    • [QE-users] Failed install of executables on Mac   Dario Massa
      • [QE-users] Failed install of executables on Mac   Paolo Giannozzi
  • [QE-users] Failed install of executables on Mac   Paolo Giannozzi
• [QE-users] [SUSPECT ATTACHMENT REMOVED] Restart mode = 'restart' problems.   Vasilios Passias
  • [QE-users] [SUSPECT ATTACHMENT REMOVED] Restart mode = 'restart' problems.   Paolo Giannozzi
• [QE-users] Error in neb.x calculation on Cedar cluster   Rutika Savaliya
  • [QE-users] Error in neb.x calculation on Cedar cluster   Dr. K. C. Bhamu
    • [QE-users] Error in neb.x calculation on Cedar cluster   Paolo Giannozzi
• [QE-users] problems computing cholesky   Riemann Derakhshan
  • [QE-users] problems computing cholesky   Jibiao Li
  • [QE-users] problems computing cholesky   Lorenzo Paulatto
• [QE-users] QE e-School 17-28 May 2021   Paolo Giannozzi
  • [QE-users] QE e-School 17-28 May 2021 Reminder   Pietro Delugas
• [QE-users] Projwfc.x   Mayuri Bora
  • [QE-users] Projwfc.x   Paolo Giannozzi
• [QE-users] users Digest, Vol 165, Issue 3   Anish Das
• [QE-users] [SUSPECT ATTACHMENT REMOVED] calculation='relax'   alberto santonocito
  • [QE-users] [SUSPECT ATTACHMENT REMOVED] calculation='relax'   Paolo Giannozzi
    • [QE-users] [SUSPECT ATTACHMENT REMOVED] calculation='relax'   alberto santonocito
      • [QE-users] [SUSPECT ATTACHMENT REMOVED] calculation='relax'   alberto santonocito
• [QE-users] Calculations with van der Waals correction stopped with an error   Jibiao Li
  • [QE-users] Calculations with van der Waals correction stopped with an error   Fabrizio Ferrari
    • [QE-users] Calculations with van der Waals correction stopped with an error   Paolo Giannozzi
  • [QE-users] Calculations with van der Waals correction stopped with an error   Michal Krompiec
    • [QE-users] Calculations with van der Waals correction stopped with an error   Paolo Giannozzi
• [QE-users] Best setup for reproduction of magnetic moment   Evgeny Permyakov
• [QE-users] Query regarding Brilloin zone after constructing supercell   Pooja Vyas
• [QE-users] error in performing ferromagnetic LSDA+U calculation   Tavneet Kaur
  • [QE-users] error in performing ferromagnetic LSDA+U calculation   Iurii TIMROV
  • [QE-users] error in performing ferromagnetic LSDA+U calculation   Iurii TIMROV
• [QE-users] test-suite problem   weber at chemie.uni-siegen.de
  • [QE-users] test-suite problem   Pietro Delugas
    • [QE-users] test-suite problem   Pietro Delugas
      • [QE-users] test-suite problem   Lorenzo Paulatto
• [QE-users] Error happens after setting max_seconds in turbo_davidson.x   飘
  • [QE-users] Error happens after setting max_seconds in turbo_davidson.x   Iurii TIMROV
    • [QE-users] 回复： Error happens after setting max_seconds in turbo_davidson.x   飘
• [QE-users] H phase of ZrS2 monolayer   Sohail Ahmad
  • [QE-users] Request for Scholarship   Abdul saboor
• [QE-users] RE： Error happens after setting max_seconds in turbo_davidson.x   飘
  • [QE-users] RE： Error happens after setting max_seconds in turbo_davidson.x   Iurii TIMROV
  • [QE-users] Re： Error happens after setting max_seconds in turbo_davidson.x   飘
    • [QE-users] Re： Error happens after setting max_seconds in turbo_davidson.x   Iurii TIMROV
      • [QE-users] 回复： Re： Error happens after setting max_seconds in turbo_davidson.x   飘
• [QE-users] phonon dispersion of alumina   Jakob Kraus
  • [QE-users] Binary version of Qunatum Espresso 6.7 with mGGA library (SCAN) for WIndows 10 ?   Husak Michal
  • [QE-users] phonon dispersion of alumina   Paolo Giannozzi
• [QE-users] Error (#29) in NEB calculation   sara bagheri
  • [QE-users] Error (#29) in NEB calculation   Paolo Giannozzi
    • [QE-users] Error (#29) in NEB calculation   Paolo Giannozzi
• [QE-users] vc-cp   Mohammad Moaddeli
  • [QE-users] Ris: vc-cp   rbertoss at sissa.it
• [QE-users] Convergence not achieved after 100 iterations   Pooja Vyas
  • [QE-users] Convergence not achieved after 100 iterations   Lorenzo Paulatto
• [QE-users] users Digest, Vol 165, Issue 10   Anish Das
  • [QE-users] users Digest, Vol 165, Issue 10   Pooja Vyas
• [QE-users] occupation=smearing and magnetic moment   Evgeny Permyakov
  • [QE-users] occupation=smearing and magnetic moment   mkondrin
    • [QE-users] occupation=smearing and magnetic moment   Evgeny Permyakov
      • [QE-users] occupation=smearing and magnetic moment   mkondrin
• [QE-users] Help on QE + GPU + OpenMP compilation   Giovanni Cantele
  • [QE-users] Help on QE + GPU + OpenMP compilation   Paolo Giannozzi
    • [QE-users] Help on QE + GPU + OpenMP compilation   Giovanni Cantele
      • [QE-users] Help on QE + GPU + OpenMP compilation   Giovanni Cantele
      • [QE-users] Help on QE + GPU + OpenMP compilation   Paolo Giannozzi
      • [QE-users] Help on QE + GPU + OpenMP compilation   Giovanni Cantele
      • [QE-users] Help on QE + GPU + OpenMP compilation   Pietro Bonfa'
      • [QE-users] Help on QE + GPU + OpenMP compilation   Paolo Giannozzi
    • [QE-users] Help on QE + GPU + OpenMP compilation   Sergey Lisenkov
      • [QE-users] Help on QE + GPU + OpenMP compilation   Giovanni Cantele
• [QE-users] My slab system does not converge during optimization. Can you help me?   Jayfe Anthony Abrea
  • [QE-users] My slab system does not converge during optimization. Can you please help me?   Jayfe Anthony Abrea
    • [QE-users] My slab system does not converge during optimization. Can you please help me?   Alpesh Sheth
    • [QE-users] My slab system does not converge during optimization. Can you please help me?   Jayfe Anthony Abrea
  • [QE-users] My slab system does not converge during optimization. Can you help me?   Thomas Brumme
    • [QE-users] My slab system does not converge during optimization.Can you help me?   Jayfe Anthony Abrea
      • [QE-users] My slab system does not converge during optimization.Can you help me?   Thomas Brumme
      • [QE-users] Rcompilation of QE 6.7 by Cygwin 64 - result does not work ...   Michal Husak
      • [QE-users] My slab system does not converge during optimization.Can you help me?   Jayfe Anthony Abrea
  • [QE-users] My slab system does not converge during optimization.Can you help me?   Jayfe Anthony Abrea
    • [QE-users] My slab system does not converge during optimization.Can you help me?   Thomas Brumme
• [QE-users] Essential of doing vc-relax - regarding   singaravelan T R
  • [QE-users] Essential of doing vc-relax - regarding   SAURAV LAHIRI
• [QE-users] projected Band structure   Mayuri Bora
  • [QE-users] Projected Band structure   Mayuri Bora
    • [QE-users] Projected Band structure   Guido Fratesi
• [QE-users] Spin components in pp - plot   Ian Shuttleworth
  • [QE-users] Spin components in pp - plot   Paolo Giannozzi
• [QE-users] Calculation Error with pw.x on compute Canada cluster   Rutika Savaliya
  • [QE-users] Calculation Error with pw.x on compute Canada cluster   Paolo Giannozzi
• [QE-users] Doubt in performing vc relax and relax - Reg   singaravelan T R
  • [QE-users] Doubt in performing vc relax and relax - Reg   Husak Michal
• [QE-users] Why magnetic system give zero magnetic moment for all atoms   Jibiao Li
  • [QE-users] Why magnetic system give zero magnetic moment for all atoms   Giuseppe Mattioli
• [QE-users] Doubt regarding vc relax and relax - Reg   singaravelan T R
  • [QE-users] Doubt regarding vc relax and relax - Reg   Husak Michal
• [QE-users] Re： Re： Error happens after setting max_seconds in turbo_davidson.x   飘
  • [QE-users] ReĢš ReĢš Error happens after setting max_seconds in turbo_davidson.x   Kazume NISHIDATE
    • [QE-users] Re： ReĢš ReĢš Error happens after setting max_seconds in turbo_davidson.x   飘
  • [QE-users] Re： Re： Error happens after setting max_seconds in turbo_davidson.x   Iurii TIMROV
    • [QE-users] Re： Re： Re： Error happens after setting max_seconds in turbo_davidson.x   飘
    • [QE-users] Re： Re： Re： Error happens after setting max_seconds in turbo_davidson.x   飘
      • [QE-users] Re： Re： Re： Error happens after setting max_seconds in turbo_davidson.x   Iurii TIMROV
• [QE-users] QE calculation on AWS   Rutika Savaliya
• [QE-users] ph.x and GPU architectures   Antonio Crepaldi
  • [QE-users] ph.x and GPU architectures   Stefano Baroni
• [QE-users] Invalid MIT-MAGIC-COOKIE-1 key   Tarek Hammad
  • [QE-users] Invalid MIT-MAGIC-COOKIE-1 key   Lorenzo Paulatto
    • [QE-users] Invalid MIT-MAGIC-COOKIE-1 key   Tarek Hammad
      • [QE-users] Invalid MIT-MAGIC-COOKIE-1 key   Paolo Giannozzi
      • [QE-users] Invalid MIT-MAGIC-COOKIE-1 key   Microsoft.com team
• [QE-users] raman calculate   yifeng zhao
• [QE-users] Electron-Phonon   Alpesh Sheth
• [QE-users] effect of "pot_extrapolation" and "wfc_extrapolation" in MD   Sergey Lisenkov
  • [QE-users] effect of "pot_extrapolation" and "wfc_extrapolation" in MD   Paolo Giannozzi
• [QE-users] Electron spin-spin interactions   Ken Sharman
• [QE-users] Vibration calculation using ph.x   Rutika Savaliya
  • [QE-users] Vibration calculation using ph.x   Rutika Savaliya
    • [QE-users] Vibration calculation using ph.x   Lorenzo Paulatto
• [QE-users] QE 6.7 with libxc 5.1.3 showing error dft method scan is unrecognised.   Raj
  • [QE-users] QE 6.7 with libxc 5.1.3 showing error dft method scan is unrecognised.   Fabrizio Ferrari
    • [QE-users] QE 6.7 with libxc 5.1.3 showing error dft method scan is unrecognised.   Raj
      • [QE-users] QE 6.7 with libxc 5.1.3 showing error dft method scan is unrecognised.   Paolo Giannozzi
      • [QE-users] QE 6.7 with libxc 5.1.3 showing error dft method scan is unrecognised.   Lorenzo Paulatto
      • [QE-users] QE 6.7 with libxc 5.1.3 showing error dft method scan is unrecognised.   Raj
      • [QE-users] QE 6.7 with libxc 5.1.3 showing error dft method scan is unrecognised.   Paolo Giannozzi
      • [QE-users] QE 6.7 with libxc 5.1.3 showing error dft method scan is unrecognised.   Lorenzo Paulatto
      • [QE-users] QE 6.7 with libxc 5.1.3 showing error dft method scan is unrecognised.   Raj
• [QE-users] QE GPU docker at NVIDIA NGC memory hang   Karim Elgammal
  • [QE-users] QE GPU docker at NVIDIA NGC memory hang   Louis Stuber
• [QE-users] error message: Message from routine chdens: namelist plot not found or invalid   Мищенко В.Н.
• [QE-users] Complex eigenvectors in phonons   Nima Karimitari
• [QE-users] Calculation stuck in the first iteration using meta GGA scan in QE 6.7.   Raj
  • [QE-users] Calculation stuck in the first iteration using meta GGA scan in QE 6.7.   Karim Elgammal
    • [QE-users] Calculation stuck in the first iteration using meta GGA scan in QE 6.7.   Raj
      • [QE-users] Calculation stuck in the first iteration using meta GGA scan in QE 6.7.   Paolo Giannozzi
• [QE-users] alpha2f.x electron-phonon calculation error   RICO PRATAMA PUTRA
  • [QE-users] alpha2f.x electron-phonon calculation error   Paolo Giannozzi
• [QE-users] Why the choice of different spin orientations leads to completely the same total energy   Jibiao Li
  • [QE-users] Why the choice of different spin orientations leads to completely the same total energy   Juan Hernández-Tecorralco
• [QE-users] Inconsistency | Is omega_ln truly in Kelvin   Jibiao Li
• [QE-users] how to add library libfabric.so.1   Jota Be
  • [QE-users] how to add library libfabric.so.1   Paolo Giannozzi
    • [QE-users] how to add library libfabric.so.1   Takahiro Chiba
  • [QE-users] how to add library libfabric.so.1   Jota Be
• [QE-users] relaxation of a charged system   Hanghui Chen

Last message date: Fri Apr 30 16:57:09 CEST 2021
Archived on: Fri Apr 30 16:57:09 CEST 2021

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