September 2019 Archives by thread

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Starting: Tue Sep 3 13:39:11 CEST 2019
Ending: Mon Sep 30 19:58:22 CEST 2019
Messages: 164

• [QE-users] Fwd: Virtual atom orbital projected band structure   Joao Abreu
• [QE-users] Fwd: Error while parsing atomic position card   hamed asadi
  • [QE-users] Fwd: Error while parsing atomic position card   Giovanni Cantele
• [QE-users] Bands.x   Mayuri Bora
• [QE-users] igk_k , davcio, evc and wfck2r.f90   Aritz Leonardo
  • [QE-users] igk_k , davcio, evc and wfck2r.f90   Paolo Giannozzi
    • [QE-users] igk_k , davcio, evc and wfck2r.f90   Aritz Leonardo
      • [QE-users] igk_k , davcio, evc and wfck2r.f90   Paolo Giannozzi
• [QE-users] Electron_phonon on semiconductors with smearing   Antoine Jay
• [QE-users] NEB images with different cell parameters possible?   A. Jain
  • [QE-users] NEB images with different cell parameters possible?   Giuseppe Mattioli
    • [QE-users] NEB images with different cell parameters possible?   Paolo Giannozzi
      • [QE-users] NEB images with different cell parameters possible?   A. Jain
• [QE-users] convergence in NEB   mehrdad zamzamian
• [QE-users] Runtime GPU memory issue of q-e-gpu- -6.4a1   xh14
  • [QE-users] Runtime GPU memory issue of q-e-gpu- -6.4a1   Pietro BONFA'
• [QE-users] limit to take U value for DFT+U calculation   ROHIT DAHULE 18210068
  • [QE-users] limit to take U value for DFT+U calculation   Matteo Cococcioni
    • [QE-users] limit to take U value for DFT+U calculation   Andrey Chibisov
• [QE-users] optimization lattice constants of charged single layer 2d metallic materials   Bin Shao
• [QE-users] Virtual atom projected band structure problem   Joao Abreu
• [QE-users] NEB images with different cell parameters   Aleksandra Oranskaia
• [QE-users] pseudo-potential   foudil zaabar
• [QE-users] Would you explain the input file for plotproj.x (or have typical example input file)?   ENDALE ABEBE
• [QE-users] Hubbard paramaters calculation with HP module   MARIA CATERINA CEVALLOS BRENES
  • [QE-users] Hubbard paramaters calculation with HP module   Matteo Cococcioni
  • [QE-users] Hubbard paramaters calculation with HP module   Timrov Iurii
• [QE-users] hp.x code overestimates Hubbard U value   Soumyadeep
  • [QE-users] hp.x code overestimates Hubbard U value   Marzari Nicola
  • [QE-users] hp.x code overestimates Hubbard U value   Timrov Iurii
    • [QE-users] hp.x code overestimates Hubbard U value   Soumyadeep
      • [QE-users] hp.x code overestimates Hubbard U value   Timrov Iurii
      • [QE-users] hp.x code overestimates Hubbard U value   Soumyadeep
      • [QE-users] hp.x code overestimates Hubbard U value   Timrov Iurii
• [QE-users] magnetic susceptibility   Masumeh
• [QE-users] Structural stability problem   Gui Wei
  • [QE-users] Structural stability problem   Pietro Davide Delugas
    • [QE-users] Structural stability problem   Nicola Marzari
• [QE-users] Generate Pseudopotential   Muhammad Yusrul Hanna
  • [QE-users] Generate Pseudopotential   Stefano Baroni
    • [QE-users] Generate Pseudopotential   Stefano Baroni
• [QE-users] Optical properties   Mehmet ERDEM
• [QE-users] Angular parts of beta projectors   Tommi Höynälänmaa
  • [QE-users] Angular parts of beta projectors   Paolo Giannozzi
    • [QE-users] Angular parts of beta projectors   Tommi Höynälänmaa
• [QE-users] =>> PBS: job killed: walltime 172854 exceeded limit 172800 . how can i correct this error.   Kwaoallan Blaze
  • [QE-users] =>> PBS: job killed: walltime 172854 exceeded limit 172800 . how can i correct this error.   Giovanni Cantele
• [QE-users] Error during compilation in the step of make all command   林聖智
  • [QE-users] Error during compilation in the step of make all command   林聖智
    • [QE-users] Error during compilation in the step of make all command   Paolo Giannozzi
      • [QE-users] Error during compilation in the step of make all command   林聖智
      • [QE-users] Error during compilation in the step of make all command   Paolo Giannozzi
      • [QE-users] Error during compilation in the step of make all command   林聖智
      • [QE-users] Error during compilation in the step of make all command   林聖智
      • [QE-users] Error during compilation in the step of make all command   Paolo Giannozzi
      • [QE-users] Error during compilation in the step of make all command   林聖智
      • [QE-users] Error during compilation in the step of make all command   Will DeBenedetti
      • [QE-users] Error during compilation in the step of make all command   林聖智
      • [QE-users] Error during compilation in the step of make all command   林聖智
      • [QE-users] Error during compilation in the step of make all command   Marzari Nicola
      • [QE-users] Error during compilation in the step of make all command   林聖智
      • [QE-users] Error during compilation in the step of make all command   林聖智
      • [QE-users] Error during compilation in the step of make all command   林聖智
      • [QE-users] Error during compilation in the step of make all command   Will DeBenedetti
      • [QE-users] Error during compilation in the step of make all command   林聖智
      • [QE-users] Error during compilation in the step of make all command   Will DeBenedetti
      • [QE-users] Error during compilation in the step of make all command   林聖智
      • [QE-users] Error during compilation in the step of make all command   Will DeBenedetti
      • [QE-users] Error during compilation in the step of make all command   林聖智
• [QE-users] Plasmons   kazem zhour
  • [QE-users] 回复: Plasmons   Zhou Jianqiang
    • [QE-users] 回复: Plasmons   Oleksandr Motornyi
      • [QE-users] 回复: Plasmons   Kwaoallan Blaze
      • [QE-users] 回复: Plasmons   Kwaoallan Blaze
      • [QE-users] 回复: Plasmons   Oleksandr Motornyi
      • [QE-users] 回复: Plasmons   Kwaoallan Blaze
      • [QE-users] 回复: Plasmons   Kwaoallan Blaze
      • [QE-users] 回复: Plasmons   Paolo Giannozzi
• [QE-users] bad convergence in field-effect configuration calculations   Bin Shao
  • [QE-users] bad convergence in field-effect configuration calculations   Dr. Thomas Brumme
    • [QE-users] bad convergence in field-effect configuration calculations   Bin Shao
      • [QE-users] bad convergence in field-effect configuration calculations   Dr. Thomas Brumme
      • [QE-users] bad convergence in field-effect configuration calculations   Bin Shao
• [QE-users] Materials Square: Easy-to-use web based materials simulation platform   Minho Lee
• [QE-users] PW_EXPORT on versino >6.4   Antoine Jay
  • [QE-users] PW_EXPORT on versino >6.4   Paolo Giannozzi
• [QE-users] Projected DOS, and sumpdos.x for noncollinear calculation   Lucas Nicolás Lodeiro Moraga
• [QE-users] dielectric constant calculation   Jay Wai
  • [QE-users] dielectric constant calculation   Lorenzo Paulatto
  • [QE-users] dielectric constant calculation   Christoph Wolf
• [QE-users] Can we calculate pressure from just relaxation result?   Yeon, Jejoon
  • [QE-users] Can we calculate pressure from just relaxation result?   Lorenzo Paulatto
• [QE-users] postoc position at UT Austin   Long Cheng
• [QE-users] NEB calculation   mehrdad zamzamian
  • [QE-users] NEB calculation   mehrdad zamzamian
• [QE-users] Alternatives to lsign for noncollinear calculations.   Vasilios Passias
• [QE-users] fcc cell parameters   David Kostov
  • [QE-users] fcc cell parameters   Paolo Giannozzi
  • [QE-users] Fw: fcc cell parameters   David Kostov
• [QE-users] please add me to the list   David Kostov
• [QE-users] Unfolding Band Structure using BandUp   Samar Chand
  • [QE-users] Unfolding Band Structure using BandUp   Oleksandr Motornyi
    • [QE-users] Unfolding Band Structure using BandUp   Samar Chand
• [QE-users] turbo_lanczos input file   kazem zhour
  • [QE-users] turbo_lanczos input file   Timrov Iurii
• [QE-users] Electron freezing   kazem zhour
  • [QE-users] Electron freezing   Lorenzo Paulatto
• [QE-users] plot_num=1 in QE_6.4.1?==?utf-8?q? pp.x not the same as 6.3   Antoine Jay
  • [QE-users] plot_num=1 in QE_6.4.1?==?utf-8?q? pp.x not the same as 6.3   Paolo Giannozzi
    • [QE-users] ?==?utf-8?q? ?==?utf-8?q? plot_num=1 in QE_6.4.1?=?==?utf-8?q? pp.x not the same as 6.   Antoine Jay
• [QE-users] Convergence of calculating Hubbard parameters from DFPT   Gaoxue Wang
  • [QE-users] Convergence of calculating Hubbard parameters from DFPT   Christoph Wolf
• [QE-users] Segmentation fault - invalid memory reference   杨世隆
  • [QE-users] Segmentation fault - invalid memory reference   Paolo Giannozzi
    • [QE-users] Segmentation fault - invalid memory reference   杨世隆
      • [QE-users] Segmentation fault - invalid memory reference   Paolo Giannozzi
• [QE-users] Can we do LDA+U with SOC for FM/AFM systems in QE   David Kostov
  • [QE-users] Fw: Can we do LDA+U with SOC for FM/AFM systems in QE   David Kostov
    • [QE-users] Fw: Can we do LDA+U with SOC for FM/AFM systems in QE   Lorenzo Paulatto
• [QE-users] huge imaginary phonon frequencies   Fabrizio Cossu
• [QE-users] error in Electron localization function and charge density minus superposition of atomic densities   LEUNG Clarence
  • [QE-users] error in Electron localization function and charge density minus superposition of atomic densities   Paolo Giannozzi
• [QE-users] Error in difference charge density   LEUNG Clarence
• [QE-users] QE+Wannier90   zhy
  • [QE-users] QE+Wannier90   TERSOO ATSUE
    • [QE-users] QE+Wannier90   zhy
• [QE-users] users Digest, Vol 146, Issue 15   Mayuri Bora
  • [QE-users] users Digest, Vol 146, Issue 15   Paolo Giannozzi
• [QE-users] Regarding Installation of Quantum Espresso 6.4.1   Jyotirmoy Deb
• [QE-users] MO6-L functional   Offermans Willem
  • [QE-users] MO6-L functional   Yves Ferro
    • [QE-users] MO6-L functional   Offermans Willem
• [QE-users] How to use plotproj.x?   ENDALE ABEBE
• [QE-users] What Is Estimated SCF Accuracy   Ben Comer
  • [QE-users] What Is Estimated SCF Accuracy   Paolo Giannozzi
    • [QE-users] What Is Estimated SCF Accuracy   Ben Comer
      • [QE-users] What Is Estimated SCF Accuracy   Paolo Giannozzi
      • [QE-users] What Is Estimated SCF Accuracy   Ben Comer
      • [QE-users] What Is Estimated SCF Accuracy   Stefano de Gironcoli
  • [QE-users] What Is Estimated SCF Accuracy   Ben Comer
• [QE-users] VC-relax in polar materials   Eric Glen Suter
• [QE-users] Convergence of Ecutwfc and Ecutrho for Doublet Occupation Scheme   Brendan Smith
• [QE-users] problems in graphene simulation   Haider Abbas
  • [QE-users] problems in graphene simulation   Christoph Wolf
  • [QE-users] problems in graphene simulation   Paolo Giannozzi
• [QE-users] What might be the best way to calculate equation of state of crystal unitcell in current QE?   Yeon, Jejoon
  • [QE-users] What might be the best way to calculate equation of state of crystal unitcell in current QE?   Will DeBenedetti
• [QE-users] Parallelism PH.x calculation with fildvscf option   Fabio Costa
• [QE-users] Fermi Surface of 2D material   Hussain Ali
  • [QE-users] Fermi Surface of 2D material   Mukhtar
  • [QE-users] Fermi Surface of 2D material   Dr. Thomas Brumme
• [QE-users] Projwfc.x , n_proj_boxes error   Lucas Nicolás Lodeiro Moraga
  • [QE-users] Projwfc.x , n_proj_boxes error   Paolo Giannozzi
    • [QE-users] Projwfc.x , n_proj_boxes error   Paolo Giannozzi
• [QE-users] Ce19O32 cluster does not convergence   Andrey Chibisov
  • [QE-users] Ce19O32 cluster does not convergence   Stefano de Gironcoli
    • [QE-users] Ce19O32 cluster does not convergence   Andrey Chibisov
  • [QE-users] Ce19O32 cluster does not convergence   Paolo Giannozzi
    • [QE-users] Ce19O32 cluster does not convergence   Andrey Chibisov
  • [QE-users] Ce19O32 cluster does not convergence   José C. Conesa
    • [QE-users] Ce19O32 cluster does not convergence   Giuseppe Mattioli
• [QE-users] visualising vibrations from the results of phonon calculations   Yohei Uemura
  • [QE-users] visualising vibrations from the results of phonon calculations   Timrov Iurii
  • [QE-users] visualising vibrations from the results of phonon calculations   Tone Kokalj

Last message date: Mon Sep 30 19:58:22 CEST 2019
Archived on: Mon Sep 30 19:58:18 CEST 2019

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