July 2022 Archives by thread

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Starting: Fri Jul 1 10:48:56 CEST 2022
Ending: Sat Jul 30 11:28:46 CEST 2022
Messages: 90

• [QE-users] DFT+U+V: The HP code can be used only when lda_plus_u=.true. in qe-7.1   VNU Quang Tran
  • [QE-users] DFT+U+V: The HP code can be used only when lda_plus_u=.true. in qe-7.1   Iurii TIMROV
• [QE-users] ldos for a sphere   Aleksandra Oranskaia
• [QE-users] problem compiling qe 7.1   fede at fq.edu.uy
  • [QE-users] problem compiling qe 7.1   Mahmoud Payami Shabestari
  • [QE-users] problem compiling qe 7.1   fede at fq.edu.uy
• [QE-users] electron phonon coupling   Soumendra Kumar Das
  • [QE-users] electron phonon coupling   Soumendra Kumar Das
    • [QE-users] electron phonon coupling   patrizio.graziosi at cnr.it
• [QE-users] users Digest, Vol 180, Issue 2   Soumendra Kumar Das
• [QE-users] Integrated oribtal resolved DOS does not equal number of electrons   Schön, Carl-Friedrich
  • [QE-users] Integrated oribtal resolved DOS does not equal number of electrons   Paolo Giannozzi
    • [QE-users] Integrated oribtal resolved DOS does not equal number of electrons   Carl-Friedrich Schön
• [QE-users] [SPAM] DFT-D3 and HP code   Sergey Lisenkov
  • [QE-users] [SPAM] DFT-D3 and HP code   Giuseppe Mattioli
• [QE-users] Proper scf input file for study SOC effect on magnetic insulator   Nuttachai Jutong
  • [QE-users] Proper scf input file for study SOC effect on magnetic insulator   Iurii TIMROV
  • [QE-users] Proper scf input file for study SOC effect on magnetic insulator   Nuttachai Jutong
    • [QE-users] Proper scf input file for study SOC effect on magnetic insulator   Iurii TIMROV
  • [QE-users] Proper scf input file for study SOC effect on magnetic insulator   Nuttachai Jutong
• [QE-users] Spin projections not working OR (more probable) really dumb misunderstanding   Thomas Brumme
  • [QE-users] Spin projections not working OR (more probable) really dumb misunderstanding   Thomas Brumme
• [QE-users] Wrong r2r4 value for Ba in the dft-d3 code   Vahid Askarpour
  • [QE-users] Wrong r2r4 value for Ba in the dft-d3 code   Paolo Giannozzi
• [QE-users] QE 7.1 Problem with installation. Error while compiling gen_us_dj_gpu.f90   psmanyam
  • [QE-users] QE 7.1 Problem with installation. Error while compiling gen_us_dj_gpu.f90   Paolo Giannozzi
• [QE-users] Convergence issue with the mbJ TB09 functional   Banhi Chatterjee
  • [QE-users] Convergence issue with the mbJ TB09 functional   Fabrizio Ferrari Ruffino
  • [QE-users] Convergence issue with the mbJ TB09 functional   Banhi Chatterjee
• [QE-users] Regarding dos under the application of transverse electric field   Satyasiban Dash ph19d005
• [QE-users] Alpha_mix not resolving ph.x convergence failure   Jessica Johnson
• [QE-users] difference in lattice parameters with USPP and ONCV NC PPs   José Xavier
• [QE-users] Double x-coordinate in bands.x output   Carl-Friedrich Schön
  • [QE-users] Double x-coordinate in bands.x output   Lorenzo Paulatto
• [QE-users] Convergence problem in vc-relax   Ali Jaberi
  • [QE-users] Convergence problem in vc-relax   Iurii TIMROV
  • [QE-users] Convergence problem in vc-relax   Lorenzo Bastonero
• [QE-users] problem of plottiing band structure based on hybrid HSE functional   jy95vowa
  • [QE-users] problem of plottiing band structure based on hybrid HSE functional   Lorenzo Paulatto
    • [QE-users] problem of plottiing band structure based on hybrid HSE functional   jy95vowa
      • [QE-users] problem of plottiing band structure based on hybrid HSE functional   jy95vowa
• [QE-users] [Webinar] Electronic structure including electron-phonon effects   Dr.Mosab Banisalman
  • [QE-users] [Webinar] Electronic structure including electron-phonon effects   Dr.Mosab Banisalman
• [QE-users] some questions about cpmd in quantum espresso   杨庆
• [QE-users] A question about the use of lambda.x   Piotr Szkudlarek
  • [QE-users] A question about the use of lambda.x   Piotr Szkudlarek
    • [QE-users] A question about the use of lambda.x   Paolo Giannozzi
      • [QE-users] A question about the use of lambda.x   Piotr Szkudlarek
• [QE-users] Medium-entropy materials   Connor Wilson
  • [QE-users] Medium-entropy materials   sally issa
  • [QE-users] Medium-entropy materials   Lorenzo Paulatto
  • [QE-users] Medium-entropy materials   Marcelo Falcão de Oliveira
• [QE-users] Linear response after HSE   Corina Urdaniz
  • [QE-users] Linear response after HSE   Iurii TIMROV
    • [QE-users] Linear response after HSE   Corina Urdaniz
• [QE-users] relax : convergence NOT achieved after 80 iterations: stopping   Liang Yihao
  • [QE-users] relax : convergence NOT achieved after 80 iterations: stopping   Lucian D. Filip
  • [QE-users] relax : convergence NOT achieved after 80 iterations: stopping   Giovanni Cantele
    • [QE-users] relax : convergence NOT achieved after 80 iterations: stopping   Hsin-Yu Ko
      • [QE-users] relax : convergence NOT achieved after 80 iterations: stopping   Giuseppe Mattioli
  • [QE-users] relax : convergence NOT achieved after 80 iterations: stopping   pboulet
• [QE-users] about matdyn.x and choice of "selected lines"   patrizio.graziosi at cnr.it
  • [QE-users] About matdyn.x and choice of "selected lines"   patrizio.graziosi at cnr.it
    • [QE-users] About matdyn.x and choice of "selected lines"   Marcelo Falcão de Oliveira
• [QE-users] relax : convergence NOT achieved after 80 iterations: stopping (Lucian D. Filip)   Tiana, Davide
  • [QE-users] relax : convergence NOT achieved after 80 iterations: stopping (Lucian D. Filip)   Lucian D. Filip
• [QE-users] Reference for LSDA as used in quantum espresso?   Daniel B. Straus
  • [QE-users] Reference for LSDA as used in quantum espresso?   Paolo Giannozzi
    • [QE-users] Reference for LSDA as used in quantum espresso?   Iurii TIMROV
• [QE-users] ipol is cartesian or crystal coordinates?   Gerson J Ferreira
• [QE-users] Piezoelectric stress coefficient   龚佳怡
• [QE-users] [SPAM] bands.x output incomplete   SK
  • [QE-users] R: bands.x output incomplete   Pietro Davide Delugas
    • [QE-users] R: bands.x output incomplete   KENNETH SANDINAH
• [QE-users] [SPAM] Re: bands.x output incomplete   SK
• [QE-users] cp.x ' Error in routine tqli (200): too many iterations'   Massa Dario
• [QE-users] Error in routine spinor   Nurit Manukovsky
• [QE-users] extrapolated charge too large during vc-relax leading to too many energy bands not converged error   Lucian D. Filip
  • [QE-users] extrapolated charge too large during vc-relax leading to too many energy bands not converged error   Pietro Davide Delugas
• [QE-users] [SPAM]   Роман Воронков
  • [QE-users] [SPAM]   Fabrizio Ferrari Ruffino
    • [QE-users] [SPAM] Re: [SPAM]   Роман Воронков
      • [QE-users] [SPAM] Re: [SPAM]   Fabrizio Ferrari Ruffino
• [QE-users] Is it possible to "resurect" wrongly interupted phonon calculations?   Piotr Szkudlarek
  • [QE-users] Is it possible to "resurect" wrongly interupted phonon calculations?   pdelugas at sissa.it
• [QE-users] Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response   Iurii TIMROV
  • [QE-users] Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response   Nicola Marzari
  • [QE-users] R: Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response   Pietro Davide Delugas
• [QE-users] [SPAM] Sharp peaks at the band structure calculated with hybrid functional using the "fake" procedure   Антон Андреевич Гавриков
• [QE-users] WFs confined within the unit-cell   EMANUEL ALBERTO MARTINEZ

Last message date: Sat Jul 30 11:28:46 CEST 2022
Archived on: Sat Jul 30 11:28:53 CEST 2022

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