June 2019 Archives by thread

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Starting: Sat Jun 1 16:49:47 CEST 2019
Ending: Sat Jun 29 08:54:32 CEST 2019
Messages: 144

• [QE-users] Core wavefunction(Lorenzo Paulatto)   emin klc
  • [QE-users] Core wavefunction(Lorenzo Paulatto)   Lorenzo Paulatto
    • [QE-users] Core wavefunction(Lorenzo Paulatto)   emin klc
• [QE-users] dilectric constant   Sabike Ghasemi
  • [QE-users] dilectric constant   Stefano Baroni
    • [QE-users] dilectric constant   Stefano Baroni
      • [QE-users] dilectric constant   Sabike Ghasemi
      • [QE-users] dilectric constant   Lorenzo Paulatto
• [QE-users] higher total energy in the last stage of vc-relax   mehrdad zamzamian
  • [QE-users] higher total energy in the last stage of vc-relax   Kevin May
    • [QE-users] higher total energy in the last stage of vc-relax   mehrdad zamzamian
      • [QE-users] higher total energy in the last stage of vc-relax   Kevin May
      • [QE-users] higher total energy in the last stage of vc-relax   Kevin May
• [QE-users] norm-conserving pseudopotentials for TPSS?   Michal Krompiec
  • [QE-users] norm-conserving pseudopotentials for TPSS?   Paolo Giannozzi
    • [QE-users] norm-conserving pseudopotentials for TPSS?   Michal Krompiec
      • [QE-users] norm-conserving pseudopotentials for TPSS?   Giuseppe Mattioli
  • [QE-users] norm-conserving pseudopotentials for TPSS?   Lorenzo Paulatto
    • [QE-users] norm-conserving pseudopotentials for TPSS?   Michal Krompiec
• [QE-users] error in phonon calaculation   Sabike Ghasemi
• [QE-users] No symmetry found   Offermans Willem
  • [QE-users] No symmetry found   Oleksandr Motornyi
    • [QE-users] No symmetry found   Offermans Willem
      • [QE-users] No symmetry found   Paolo Giannozzi
  • [QE-users] No symmetry found   Paolo Giannozzi
• [QE-users] unknown cell_dofree ibrav error while vc-relax   Yeon, Jejoon
• [QE-users] Format of filp output file in bands.x   elchatz at auth.gr
  • [QE-users] 回复: Format of filp output file in bands.x   Zhou Jianqiang
• [QE-users] How to make supercell   刘泽世
  • [QE-users] How to make supercell   Felix Mayr
• [QE-users] starting magnetizaton & lspinorb   Sahar Izadi
• [QE-users] error output of xsd data file   Hari Paudyal
  • [QE-users] error output of xsd data file   Paolo Giannozzi
    • [QE-users] error output of xsd data file   Hari Paudyal
      • [QE-users] error output of xsd data file   Paolo Giannozzi
      • [QE-users] error output of xsd data file   Hari Paudyal
      • [QE-users] error output of xsd data file   Paolo Giannozzi
      • [QE-users] error output of xsd data file   Hari Paudyal
      • [QE-users] error output of xsd data file   Paolo Giannozzi
• [QE-users] Technical questions about calculation of exchage coupling constant J in Heisenberg model   kgruszka
  • [QE-users] Technical questions about calculation of exchage coupling constant J in Heisenberg model   BARRETEAU Cyrille
• [QE-users] Charges in spin-polarized SCF calculations   Eric Glen Suter
  • [QE-users] Charges in spin-polarized SCF calculations   kgruszka at wip.pcz.pl
  • [QE-users] Charges in spin-polarized SCF calculations   Giuseppe Mattioli
• [QE-users] [PW_forum] IFC file structure   Adrien Descamps
  • [QE-users] [PW_forum] IFC file structure   Paolo Giannozzi
  • [QE-users] [PW_forum] IFC file structure   Lorenzo Paulatto
• [QE-users] Large (and seemingly random) differences between CPU and WALL time   Julien Barbaud
  • [QE-users] Large (and seemingly random) differences between CPU and WALL time   Pietro Delugas
• [QE-users] Structure optimization using rvv10-scan   José Carlos Conesa
  • [QE-users] Structure optimization using rvv10-scan   Giuseppe Mattioli
    • [QE-users] Structure optimization using rvv10-scan   José Carlos Conesa
    • [QE-users] Structure optimization using rvv10-scan   Giovani Rech
      • [QE-users] Structure optimization using rvv10-scan   Michal Krompiec
      • [QE-users] Structure optimization using rvv10-scan   Giovani Rech
• [QE-users] Output files for ph.x   Appleton, Robert J
• [QE-users] PBE + vdW or Grimme-D3   Sohail Ahmad
  • [QE-users] PBE + vdW or Grimme-D3   Giuseppe Mattioli
• [QE-users] Asking how to use VCA in semiconductor miscible alloy   Tuoc Vu N. (HUST)
  • [QE-users] Asking how to use VCA in semiconductor miscible alloy   Stefano Baroni
    • [QE-users] Asking how to use VCA in semiconductor miscible alloy   Tuoc Vu N. (HUST)
• [QE-users] Information about non-local part of pseudopotentials   pabel
  • [QE-users] Information about non-local part of pseudopotentials   pabel
  • [QE-users] Information about non-local part of pseudopotentials   Paolo Giannozzi
    • [QE-users] Information about non-local part of pseudopotentials   pabel
• [QE-users] [SUSPICIOUS MESSAGE] stress & phonons calculations in organic crystals   Giuseppe Mattioli
• [QE-users] stress & phonon calculations with vdw_corr   Giuseppe Mattioli
  • [QE-users] stress & phonon calculations with vdw_corr   Paolo Giannozzi
    • [QE-users] stress & phonon calculations with vdw_corr   Giuseppe Mattioli
      • [QE-users] stress & phonon calculations with vdw_corr   Paolo Giannozzi
• [QE-users] Problem in ph.x and epw.x (Wrong classes for C_3v) -   Gopalan, Sanjay
  • [QE-users] Problem in ph.x and epw.x (Wrong classes for C_3v) -   Paolo Giannozzi
• [QE-users] Meaning of band plot colors.   Vasilios Passias
  • [QE-users] Meaning of band plot colors.   Junfeng Qiao
• [QE-users] (no subject)   ANKITA SINGH Res. Scholar, School of Mat. Sci. & Tech. IIT (BHU)
• [QE-users] Questions regarding parallelism and memory usage of ph.x calculations   Laurens Siemons
  • [QE-users] Questions regarding parallelism and memory usage of ph.x calculations   Paolo Giannozzi
• [QE-users] use of libxc functional   José Carlos Conesa
  • [QE-users] use of libxc functional   Paolo Giannozzi
• [QE-users] Custom xc functionals   A.M. Shipley
  • [QE-users] Custom xc functionals   Paolo Giannozzi
• [QE-users] Master degree's student   Abd-Elrahman Ali
  • [QE-users] Master degree's student   Matthieu Fortin-Deschênes
• [QE-users] Regarding pseudo-hydrogen pseudopotentoal   mohaddeseh abbasnejad
  • [QE-users] Regarding pseudo-hydrogen pseudopotentoal   mohaddeseh abbasnejad
    • [QE-users] Regarding pseudo-hydrogen pseudopotentoal   dv009200 at fh-muenster.de
      • [QE-users] Regarding pseudo-hydrogen pseudopotentoal   mohaddeseh abbasnejad
      • [QE-users] Regarding pseudo-hydrogen pseudopotentoal   Abd-Elrahman Ali
      • [QE-users] Regarding pseudo-hydrogen pseudopotentoal   Giuseppe Mattioli
• [QE-users] segmentation fault when writing *.save, LDA+U   Sergey Lisenkov
  • [QE-users] segmentation fault when writing *.save, LDA+U   Paolo Giannozzi
    • [QE-users] [SUSPECT ATTACHMENT REMOVED] Re: segmentation fault when writing *.save, LDA+U   Sergey Lisenkov
      • [QE-users] segmentation fault when writing *.save, LDA+U   Paolo Giannozzi
      • [QE-users] segmentation fault when writing *.save, LDA+U   Sergey Lisenkov
      • [QE-users] segmentation fault when writing *.save, LDA+U   Paolo Giannozzi
• [QE-users] how to generate metallic glasses through pw.x module md calculation   song Kingest
  • [QE-users] how to generate metallic glasses through pw.x module md calculation   Leonid Kahle
• [QE-users] SCF convergence for a large system size   Vidushi Sharma
  • [QE-users] SCF convergence for a large system size   Manu Hegde
• [QE-users] Pressure dependent geometry optimization in QE   Soumyadeep
  • [QE-users] Pressure dependent geometry optimization in QE   Paolo Giannozzi
    • [QE-users] Pressure dependent geometry optimization in QE   Soumyadeep
• [QE-users] Save time in Running ph.x   LEUNG Clarence
• [QE-users] NO2 and CO2.- radical anion relax calculation   dv009200 at fh-muenster.de
• [QE-users] FFT dominanted benchmark   刘泽世
  • [QE-users] FFT dominanted benchmark   Pietro Delugas
  • [QE-users] FFT dominanted benchmark   Paolo Giannozzi
• [QE-users] d-band center for ORR calculation   Adimi Samira
• [QE-users] Problems computing cholesky error in Ni-MoS2 system   Jonathan Backman
  • [QE-users] Problems computing cholesky error in Ni-MoS2 system   Oleksandr Motornyi
• [QE-users] Some questions about applying external forces on atoms   LU Hailin
• [QE-users] Issue using "b3lypv1r" keyword   Zack Windom
  • [QE-users] Issue using "b3lypv1r" keyword   Paolo Giannozzi
  • [QE-users] efield_cart value   Andrey Chibisov
• [QE-users] ph.x calculation keeps crashing   Appleton, Robert J
• [QE-users] The phonon code with US-PP and raman or elop not yet available   LEUNG Clarence
  • [QE-users] The phonon code with US-PP and raman or elop not yet available   Arles V. Gil Rebaza
  • [QE-users] The phonon code with US-PP and raman or elop not yet available   Paolo Giannozzi
• [QE-users] Hybrid functionals using GPU accelerated QE   Giovani Rech
  • [QE-users] Hybrid functionals using GPU accelerated QE   Pietro BONFA'
    • [QE-users] Hybrid functionals using GPU accelerated QE   Giovani Rech
      • [QE-users] Hybrid functionals using GPU accelerated QE   Pietro BONFA'
• [QE-users] Hydrogen pseudopotential file error:   Rajesh Raju
  • [QE-users] Hydrogen pseudopotential file error:   Lorenzo Paulatto
    • [QE-users] [SUSPECT ATTACHMENT REMOVED] RE: Hydrogen pseudopotential file error:   Rajesh Raju
      • [QE-users] [SUSPECT ATTACHMENT REMOVED] RE: Hydrogen pseudopotential file error:   Paolo Giannozzi
      • [QE-users] [SUSPECT ATTACHMENT REMOVED] RE: Hydrogen pseudopotential file error:   Lorenzo Paulatto
• [QE-users] Self-consistency does not converge   Gui Wei
• [QE-users] phonon frequencies at Gamma using qplot = .true. along K-Gamma-L   Hari Paudyal
  • [QE-users] phonon frequencies at Gamma using qplot = .true. along K-Gamma-L   Pietro Davide Delugas
• [QE-users] Charge density difference   Mayuri Bora
  • [QE-users] Charge density difference   Leonid Kahle
• [QE-users] use iotk library to read wfc*.dat in v6.4   Bruin Liu
  • [QE-users] use iotk library to read wfc*.dat in v6.4   Pietro Delugas
• [QE-users] input file for calculating the partial phonon density of state for xml file   BENYAHIA NEZHA
• [QE-users] Charges on dopants   Eric Glen Suter
  • [QE-users] Charges on dopants   Marzari Nicola
  • [QE-users] Charges on dopants   Matteo Cococcioni
  • [QE-users] Charges on dopants   Eric Glen Suter
• [QE-users] plot_num = 1 in qe-6.4.1   Manoar Hossain
• [QE-users] Error in routine cdiaghg (421) - QE 6.4.1_MKL + ELPA   IORI, Federico
  • [QE-users] Error in routine cdiaghg (421) - QE 6.4.1_MKL + ELPA   Paolo Giannozzi
• [QE-users] issue installing qe-6.4.1 in Mac OS, "/lib/cpp fails sanity check"   Schneeloch, John August (jas9db)
  • [QE-users] issue installing qe-6.4.1 in Mac OS, "/lib/cpp fails sanity check"   Paolo Giannozzi

Last message date: Sat Jun 29 08:54:32 CEST 2019
Archived on: Sat Jun 29 08:54:45 CEST 2019

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