September 2023 Archives by thread

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Starting: Fri Sep 1 14:44:48 CEST 2023
Ending: Sat Sep 23 12:55:51 CEST 2023
Messages: 69

• [QE-users] On the use of the modified Becke-Johnson (TB09) functional   Priyanka A J, Res. Associate, Dept. of Physics, IIT (BHU)
• [QE-users] Missing empty state in SCF calculation   Lorenzo Sponza
  • [QE-users] Missing empty state in SCF calculation   Paolo Giannozzi
    • [QE-users] Missing empty state in SCF calculation   Lorenzo Sponza
      • [QE-users] Missing empty state in SCF calculation   Paolo Giannozzi
      • [QE-users] Missing empty state in SCF calculation   Stefano Baroni
      • [QE-users] Missing empty state in SCF calculation   Lorenzo Sponza
      • [QE-users] Missing empty state in SCF calculation   Kazume NISHIDATE
• [QE-users] Problem with turbo_spectrum.x   Akhil g.nair
  • [QE-users] Problem with turbo_spectrum.x   Iurii Timrov
• [QE-users] [SPAM] QE7bug   526587466 at qq.com
  • [QE-users] [SPAM] QE7bug   Paolo Giannozzi
• [QE-users] question about last steps of vc-relax   Konstantin Glazyrin
  • [QE-users] question about last steps of vc-relax   Paolo Giannozzi
    • [QE-users] question about last steps of vc-relax   Nicola Marzari
• [QE-users] How to decide q1, q2, and q3?? turbo_eels.x   Akhil g.nair
  • [QE-users] How to decide q1, q2, and q3?? turbo_eels.x   Iurii Timrov
• [QE-users] Pseudopotential with hole   Akhil g.nair
• [QE-users] Berry Phase summary of polarization and conductivity   Rameswar Bhattacharjee
• [QE-users] Query about axis conversion   poonamsharma
• [QE-users] VDD charges and fractional PPs   Tom Demeyere
• [QE-users] Intel MKL Error: Parameter 10 was incorrect on entry to ZGEMM   Aziz Ogutlu
  • [QE-users] Intel MKL Error: Parameter 10 was incorrect on entry to ZGEMM   Paolo Giannozzi
    • [QE-users] Intel MKL Error: Parameter 10 was incorrect on entry to ZGEMM   Paolo Giannozzi
• [QE-users] xpetra.x input file   Akhil g.nair
• [QE-users] Spin counting in hp.x with paramagnetic metals   Theo Weinberger
  • [QE-users] Spin counting in hp.x with paramagnetic metals   Iurii Timrov
    • [QE-users] Spin counting in hp.x with paramagnetic metals   Theo Weinberger
      • [QE-users] Spin counting in hp.x with paramagnetic metals   Nicola Marzari
      • [QE-users] Spin counting in hp.x with paramagnetic metals   Theo Weinberger
  • [QE-users] Spin counting in hp.x with paramagnetic metals   Iurii Timrov
    • [QE-users] Spin counting in hp.x with paramagnetic metals   Theo Weinberger
• [QE-users] Why I can't compute the optical properties of my supercell?   NAIMI SALMA
  • [QE-users] Why I can't compute the optical properties of my supercell?   Paolo Giannozzi
    • [QE-users] Why I can't compute the optical properties of my supercell?   NAIMI SALMA
      • [QE-users] Why I can't compute the optical properties of my supercell?   Paolo Giannozzi
      • [QE-users] Why I can't compute the optical properties of my supercell?   NAIMI SALMA
      • [QE-users] Why I can't compute the optical properties of my supercell?   NAIMI SALMA
• [QE-users] [Webinar] Materials informatics: Moving beyond screening via generative machine learning models   Dr.Mosab Banisalman
• [QE-users] QE compilation for Mac with Intel processor   Kliavinek, Sergei
  • [QE-users] R: QE compilation for Mac with Intel processor   Pietro Davide Delugas
  • [QE-users] QE compilation for Mac with Intel processor   Kliavinek, Sergei
  • [QE-users] QE compilation for Mac with Intel processor   Kliavinek, Sergei
• [QE-users] SCAN Functional not recognized in DOS.x   Jing Lian Ng
  • [QE-users] SCAN Functional not recognized in DOS.x   Fabrizio Ferrari Ruffino
  • [QE-users] SCAN Functional not recognized in DOS.x   Jing Lian Ng
    • [QE-users] SCAN Functional not recognized in DOS.x   Fabrizio Ferrari Ruffino
  • [QE-users] SCAN Functional not recognized in DOS.x   Jing Lian Ng
    • [QE-users] SCAN Functional not recognized in DOS.x   Fabrizio Ferrari Ruffino
• [QE-users] Regarding error in epsilon.x file   Priyanka A J, Res. Associate, Dept. of Physics, IIT (BHU)
  • [QE-users] Regarding error in epsilon.x file   Andrea Ferretti
• [QE-users] Query Regarding Car-Parrinello Molecular Dynamics Convergence   Vinay Maithani
• [QE-users] Regarding charged Vacancy   Satyasiban Dash ph19d005
• [QE-users] Error in bands.x calculation   Sri Mainak Mukherjee, Doctoral Research Scholar, Chemistry, SSSIHL
• [QE-users] one question about the matrix element calculation   Yu, Jingjing
  • [QE-users] R: one question about the matrix element calculation   Pietro Davide Delugas
• [QE-users] Bond population   Akhil g.nair
  • [QE-users] Bond population   Guido Menichetti
• [QE-users] Infrared Intensity - unexpected values   ivanpck-cetmic.unlp.edu.ar
  • [QE-users] Infrared Intensity - unexpected values   Paolo Giannozzi
• [QE-users] Regarding screened exchange LDA calculations in quantum espresso   Priyanka A J, Res. Associate, Dept. of Physics, IIT (BHU)
• [QE-users] Error in Hubbard calculations   Priyanka A J, Res. Associate, Dept. of Physics, IIT (BHU)
  • [QE-users] Error in Hubbard calculations   Lorenzo Paulatto
• [QE-users] Regarding error in hp.x calculation   Priyanka A J, Res. Associate, Dept. of Physics, IIT (BHU)
  • [QE-users] Regarding error in hp.x calculation   Iurii Timrov
  • [QE-users] Regarding error in hp.x calculation   Stefano Baroni
• [QE-users] fatbands plot using run_example code in QE v7.2   RAJESH Dutta
• [QE-users] Error in routine davcio (25):   Collins Nganou
• [QE-users] Inquiry Regarding Supercell Optical Properties Calculation Issue   NAIMI SALMA

Last message date: Sat Sep 23 12:55:51 CEST 2023
Archived on: Sat Sep 23 12:55:47 CEST 2023

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