June 2021 Archives by thread

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Starting: Tue Jun 1 11:49:49 CEST 2021
Ending: Wed Jun 30 15:10:10 CEST 2021
Messages: 120

• [QE-users] pw2wannier90 issue   Mayuri Bora
  • [QE-users] pw2wannier90 issue   Bikash Patra
    • [QE-users] pw2wannier90 issue   박민규
• [QE-users] [Fwd: Berry phase calculation]   Mayuri Bora
• [QE-users] [EVENT] International Workshop on Computer-Aided Materials Discovery   Minkyu Park
• [QE-users] Problem in HP calculation for perovskite oxide   RAJENDER PRASAD
• [QE-users] regarding the output file of 'vc-relax' in qe-6.4.1   SOUMYAKANTA PANDA
  • [QE-users] regarding the output file of 'vc-relax' in qe-6.4.1   Lorenzo Paulatto
    • [QE-users] regarding the output file of 'vc-relax' in qe-6.4.1   SOUMYAKANTA PANDA
• [QE-users] Compiling with Intel's OneAPI - Parallel Performance Issues   Baer, Bradly
  • [QE-users] Compiling with Intel's OneAPI - Parallel Performance Issues   Ye Luo
    • [QE-users] Compiling with Intel's OneAPI - Parallel Performance Issues   Baer, Bradly
      • [QE-users] Compiling with Intel's OneAPI - Parallel Performance Issues   Ye Luo
      • [QE-users] Compiling with Intel's OneAPI - Parallel Performance Issues   Baer, Bradly
      • [QE-users] Compiling with Intel's OneAPI - Parallel Performance Issues   Ye Luo
      • [QE-users] Compiling with Intel's OneAPI - Parallel Performance Issues   Baer, Bradly
• [QE-users] neb: convergence achieved in *** iterations   Mauro Sgroi
  • [QE-users] neb: convergence achieved in *** iterations   Paolo Giannozzi
• [QE-users] users Digest, Vol 167, Issue 2   Mayuri Bora
• [QE-users] Raman intensities in quantum espresso   Banhi Chatterjee
  • [QE-users] Raman intensities in quantum espresso   Paolo Giannozzi
• [QE-users] questions about the epw   王绍菲
  • [QE-users] [External Email] questions about the epw   Hari Paudyal
• [QE-users] S Matrix not positive definite error with PBEsol   John Stoppelman
  • [QE-users] S Matrix not positive definite error with PBEsol   Paolo Giannozzi
    • [QE-users] S Matrix not positive definite error with PBEsol   John Stoppelman
      • [QE-users] S Matrix not positive definite error with PBEsol   Paolo Giannozzi
• [QE-users] How to optimize nanoparticle of CoFe2O4   Shivam Kansara
  • [QE-users] How to optimize nanoparticle of CoFe2O4   mkondrin
    • [QE-users] How to optimize nanoparticle of CoFe2O4   Shivam Kansara
      • [QE-users] How to optimize nanoparticle of CoFe2O4   mkondrin
      • [QE-users] How to optimize nanoparticle of CoFe2O4   Shivam Kansara
      • [QE-users] How to optimize nanoparticle of CoFe2O4   Shivam Kansara
      • [QE-users] How to optimize nanoparticle of CoFe2O4   mkondrin
      • [QE-users] How to optimize nanoparticle of CoFe2O4   Shivam Kansara
      • [QE-users] How to optimize nanoparticle of CoFe2O4   Dominik Voigt
      • [QE-users] How to optimize nanoparticle of CoFe2O4   Shivam Kansara
• [QE-users] Help: Could you please teach me how to calculate the atomic forces and Hessian matrix when reading maximally localized Wannier function files in LDA+U calculations?   fangyuan
  • [QE-users] Help: Could you please teach me how to calculate the atomic forces and Hessian matrix when reading maximally localized Wannier function files in LDA+U calculations?   Iurii TIMROV
    • [QE-users] Help: Could you please teach me how to calculate the atomic forces and Hessian matrix when reading maximally localized Wannier function files in LDA+U calculations?   fangyuan
• [QE-users] [EVENT] International Workshop on Computer-Aided Materials Discovery (Third week)   Minkyu Park
• [QE-users] Using latest libxc functionals in QE?   Joonho Lee
  • [QE-users] Using latest libxc functionals in QE?   Fabrizio Ferrari
• [QE-users] Fwd:   Paolo Giannozzi
• [QE-users] Error in routine local_dos from pp calculations   Jibiao Li
  • [QE-users] Error in routine local_dos from pp calculations   Paolo Giannozzi
• [QE-users] phonon of 2D materials by tetrahedra_opt method   526587466
  • [QE-users] phonon of 2D materials by tetrahedra_opt method   526587466
  • [QE-users] phonon of 2D materials by tetrahedra_opt method   526587466
    • [QE-users] phonon of 2D materials by tetrahedra_opt method   Thomas Brumme
• [QE-users] SIGSEGV, segmentation fault occurred   Ilias Miroslav, doc. RNDr., PhD.
  • [QE-users] SIGSEGV, segmentation fault occurred   Paolo Giannozzi
    • [QE-users] SIGSEGV, segmentation fault occurred   Ye Luo
• [QE-users] relax calculation   alberto santonocito
  • [QE-users] relax calculation   alberto santonocito
    • [QE-users] relax calculation   pboulet
    • [QE-users] relax calculation   Giuseppe Mattioli
• [QE-users] MD runs out of memory with increasing number of cores   Lenz Fiedler
  • [QE-users] MD runs out of memory with increasing number of cores   Paolo Giannozzi
    • [QE-users] MD runs out of memory with increasing number of cores   Lenz Fiedler
      • [QE-users] MD runs out of memory with increasing number of cores   Paolo Giannozzi
      • [QE-users] MD runs out of memory with increasing number of cores   Lenz Fiedler
      • [QE-users] MD runs out of memory with increasing number of cores   Paolo Giannozzi
      • [QE-users] MD runs out of memory with increasing number of cores   Lenz Fiedler
      • [QE-users] MD runs out of memory with increasing number of cores   Paolo Giannozzi
• [QE-users] All-electron on-site density   Isaacs, Eric B
• [QE-users] How to make bulk to 0D system   Shivam Kansara
  • [QE-users] How to make bulk to 0D system   Lorenzo Paulatto
    • [QE-users] How to make bulk to 0D system   Matthew Marcus
• [QE-users] Raman intensities in quantum espresso (Paolo Giannozzi)   Banhi Chatterjee
• [QE-users] Projected Band structure   Mayuri Bora
  • [QE-users] Projected Band structure   Mayuri Bora
• [QE-users] [Fourth Week] “International Workshop on Computer-Aided Materials Discovery”   Minkyu Park
• [QE-users] Error in ph.x calculation   Satyasiban Dash ph19d005
  • [QE-users] Error in ph.x calculation   Paolo Giannozzi
  • [QE-users] Error in ph.x calculation   Marcelo Albuquerque
• [QE-users] Fwd: Magnetic + SOC calculations   MEGHA GOYAL
• [QE-users] Magnetic +SOC calculation   MEGHA GOYAL
  • [QE-users] Magnetic +SOC calculation   pboulet
• [QE-users] Relax can not converge   LEUNG Clarence
• [QE-users] SrTiO3 Structure not converged   Sidrah Younus Khan
  • [QE-users] SrTiO3 Structure not converged   Pietro Delugas
• [QE-users] Error in routine davcio (3): wrong record length   Sidrah Younus Khan
  • [QE-users] Error in routine davcio (3): wrong record length   mkondrin
• [QE-users] Errors during make pw   Asad Mahmood
  • [QE-users] Errors during make pw   Paolo Giannozzi
    • [QE-users] Errors during make pw   Asad Mahmood
      • [QE-users] Errors during make pw   Lorenzo Paulatto
• [QE-users] CUDA-compiled version of Quantum Espresso   Chiara Biz
  • [QE-users] CUDA-compiled version of Quantum Espresso   Paolo Giannozzi
  • [QE-users] CUDA-compiled version of Quantum Espresso   Filippo Spiga
• [QE-users] bug of point group of MoS2 monolayer in QE6.6version?   526587466
• [QE-users] bug of point group of 1H-MoS2 monolayer in QE6.6version?   526587466
  • [QE-users] bug of point group of 1H-MoS2 monolayer in QE6.6version?   Paolo Giannozzi
• [QE-users] Band decomposed charge density plot   RAJNEESH CHAURASIYA (P16PH001)
• [QE-users] Question on Applying Sawtooth Electric Field   Nam Tran
  • [QE-users] Question on Applying Sawtooth Electric Field   Lorenzo Paulatto
• [QE-users] Top surface layer seems to be isolated from the rest of the system   Dr. K. C. Bhamu
  • [QE-users] Top surface layer seems to be isolated from the rest of the system   Dr. K. C. Bhamu
• [QE-users] scf of organic molecule does not converge   Haoran Wang
  • [QE-users] scf of organic molecule does not converge   Paolo Giannozzi
    • [QE-users] scf of organic molecule does not converge   Bidault, Xavier
      • [QE-users] scf of organic molecule does not converge   Stefano Baroni
      • [QE-users] scf of organic molecule does not converge   Haoran Wang
• [QE-users] "a" "b" values in "xanes.save" show "NaN" in xspectra calculation   田飞飞
  • [QE-users] "a" "b" values in "xanes.save" show "NaN" in xspectra calculation   Feifei Tian
    • [QE-users] "a" "b" values in "xanes.save" show "NaN" in xspectra calculation   Pamela Svensson
      • [QE-users] "a" "b" values in "xanes.save" show "NaN" in xspectra calculation   Feifei Tian
• [QE-users] Projected Band structure (Mayuri Bora)   Marcelo Albuquerque
• [QE-users] PBESOL pseudopotential for Y   Mohammad Moaddeli
• [QE-users] specific orbital contribution to electronic bands   Elio Physics
• [QE-users] Discrepancy in value of 'a' while convergence test   Pooja Vyas
• [QE-users] unrecognized dft in phonon calculations   Jibiao Li
  • [QE-users] unrecognized dft in phonon calculations   Fabrizio Ferrari
    • [QE-users] unrecognized dft in phonon calculations   Jibiao Li
      • [QE-users] unrecognized dft in phonon calculations   Lorenzo Paulatto
      • [QE-users] unrecognized dft in phonon calculations   Jibiao Li
• [QE-users] Effect of esm_nfit and how to choose it.   Evgeny Permyakov
• [QE-users] dft+u+v with spin-orbit   Aleksandra Oranskaia
  • [QE-users] dft+u+v with spin-orbit   Iurii TIMROV

Last message date: Wed Jun 30 15:10:10 CEST 2021
Archived on: Wed Jun 30 15:09:39 CEST 2021

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