December 2008 Archives by thread

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Starting: Mon Dec 1 02:04:45 CET 2008
Ending: Wed Dec 31 22:38:54 CET 2008
Messages: 242

• [Pw_forum] problem with TPSS (Tao-Perdew-Staroverov-Scuseria)meta-GGA for silicon   Yosuke Kanai
  • [Pw_forum] complex band   Manoj Srivastava
• [Pw_forum] SO interaction and Noncollinear magnetism   Hosik Lee
• [Pw_forum] smearing at zero K   Jiri Houska
  • [Pw_forum] smearing at zero K   Paolo Giannozzi
• [Pw_forum] "charge is wrong" error in semiconductor slab calculation   J. J. Ramsey
  • [Pw_forum] "charge is wrong" error in semiconductor slab calculation   Eyvaz Isaev
    • [Pw_forum] "charge is wrong" error in semiconductor slab calculation   J. J. Ramsey
  • [Pw_forum] "charge is wrong" error in semiconductor slab calculation   Paolo Giannozzi
    • [Pw_forum] "charge is wrong" error in semiconductor slab calculation   J. J. Ramsey
      • [Pw_forum] "charge is wrong" error in semiconductor slab calculation   Paolo Giannozzi
      • [Pw_forum] "charge is wrong" error in semiconductor slab calculation   Eyvaz Isaev
      • [Pw_forum] "charge is wrong" error in semiconductor slab calculation   J. J. Ramsey
• [Pw_forum] MnPd Bulk   Salvador Meza Aguilar
  • [Pw_forum] MnPd Bulk   Eyvaz Isaev
    • [Pw_forum] MnPd Bulk   Derek Stewart
      • [Pw_forum] MnPd Bulk   Eyvaz Isaev
  • [Pw_forum] MnPd Bulk   Lorenzo Paulatto
• [Pw_forum] Error while writing to file   loc duong ding
  • [Pw_forum] Error while writing to file   Lorenzo Paulatto
    • [Pw_forum] Error while writing to file   Paolo Giannozzi
      • [Pw_forum] Error while writing to file   Rafael Dias Menezes
      • [Pw_forum] Error while writing to file   Paolo Giannozzi
• [Pw_forum] picking ref energies for GIPAW PP's   WILLIAM J BROUWER
• [Pw_forum] "charge is wrong" error in semiconductor slab calculation   Marcello Rosini
  • [Pw_forum] pseudo files for gipaw   Valery Weber
    • [Pw_forum] pseudo files for gipaw   Davide Ceresoli
  • [Pw_forum] "charge is wrong" error in semiconductor slab calculation   J. J. Ramsey
• [Pw_forum] Strange things when calculating bands using pw.x   willy kohn
  • [Pw_forum] Strange things when calculating bands using pw.x   Paolo Giannozzi
    • [Pw_forum] Strange things when calculating bands using pw.x   willy kohn
  • [Pw_forum] Strange things when calculating bands using pw.x   Lorenzo Paulatto
    • [Pw_forum] Strange things when calculating bands using pw.x   willy kohn
• [Pw_forum] resp_mat.f90   Matteo Cococcioni
• [Pw_forum] Scf can converge, But Band can not converge   Weiguang Chen
  • [Pw_forum] Scf can converge, But Band can not converge   Eyvaz Isaev
    • [Pw_forum] Scf can converge, But Band can not converge   vega lew
      • [Pw_forum] Scf can converge, But Band can not converge   Weiguang Chen
      • [Pw_forum] Scf can converge, But Band can not converge   lan haiping
• [Pw_forum] About band diagram calculation   Yi-Kai Huang
  • [Pw_forum] high symmetry points   benamrani ammar
  • [Pw_forum] About band diagram calculation   Eyvaz Isaev
• [Pw_forum] How can I remove the dots on the lines in the band structure pictures created by plotband.x?   lzh-ming
  • [Pw_forum] Band Structure Diagram Error (In2O3)   Alexander Adler
  • [Pw_forum] Band Structure Diagram Error (In2O3)   Eyvaz Isaev
  • [Pw_forum] Band Structure Diagram Error (In2O3)   Paolo Giannozzi
• [Pw_forum] chdens.x   wangqj1
  • [Pw_forum] chdens.x   Paolo Giannozzi
  • [Pw_forum] chdens.x   lan haiping
  • [Pw_forum] chdens.x   Gabriele Sclauzero
    • [Pw_forum] Band Structure Diagram Error (In2O3)   Alexander Adler
    • [Pw_forum] Band Structure Diagram Error (In2O3)   Axel Kohlmeyer
• [Pw_forum] I can't view the output file of relax calculation using Xcrysden step by step.   vega lew
  • [Pw_forum] I can't view the output file of relax calculation using Xcrysden step by step.   Paolo Giannozzi
  • [Pw_forum] I can't view the output file of relax calculation using Xcrysden step by step.   vega lew
  • [Pw_forum] I can't view the output file of relax calculation using Xcrysden step by step.   Tone Kokalj
  • [Pw_forum] I can't view the output file of relax calculation using Xcrysden step by step.   lan haiping
  • [Pw_forum] I can't view the output file of relax calculation using Xcrysden step by step.   Tone Kokalj
  • [Pw_forum] I can't view the output file of relax calculation using Xcrysden step by step.   Axel Kohlmeyer
  • [Pw_forum] I can't view the output file of relax calculation using Xcrysden step by step.   vega lew
• [Pw_forum] calculation error about example12   Weiguang Chen
  • [Pw_forum] calculation error about example12   Paolo Giannozzi
  • [Pw_forum] calculation error about example12   Manoj Srivastava
  • [Pw_forum] calculation error about example12   Gabriele Sclauzero
• [Pw_forum] How can I remove the dots on the lines in a band structure picture plotted by plotband.x?   lzh-ming
  • [Pw_forum] How can I remove the dots on the lines in a band structure picture plotted by plotband.x?   lan haiping
    • [Pw_forum] How can I remove the dots on the lines in a band structure picture plotted by plotband.x?   lzh-ming
      • [Pw_forum] How can I remove the dots on the lines in a band structure picture plotted by plotband.x?   Paolo Giannozzi
• [Pw_forum] Interprution of running pw.x   loc duong ding
  • [Pw_forum] Interprution of running pw.x   Paolo Giannozzi
• [Pw_forum] about cpu utilization ratio   wangqj1
  • [Pw_forum] about cpu utilization ratio   lan haiping
• [Pw_forum] example03   fereydoon khazali
  • [Pw_forum] example03   Paolo Giannozzi
  • [Pw_forum] example03   Eyvaz Isaev
• [Pw_forum] specify correct q-point grid!   陳 少華
  • [Pw_forum] specify correct q-point grid!   Eyvaz Isaev
• [Pw_forum] Interprution of running pw.x (CRASH file)   loc duong ding
  • [Pw_forum] Interprution of running pw.x (CRASH file)   Paolo Giannozzi
• [Pw_forum] Error while writing to file   loc duong ding
  • [Pw_forum] Error while writing to file   Paolo Giannozzi
• [Pw_forum] example03   fereydoon khazali
  • [Pw_forum] example03   Holger Hesske
• [Pw_forum] (no subject)   潘登
  • [Pw_forum] (no subject)   Lorenzo Paulatto
• [Pw_forum] How to change the weight parameter in hybrid functional?   杨茂
  • [Pw_forum] How to change the weight parameter in hybrid functional?   Marci
    • [Pw_forum] How to change the weight parameter in hybrid functional?   lan haiping
      • [Pw_forum] How to change the weight parameter in hybrid functional?   Marci
    • [Pw_forum] How to change the weight parameter in hybrid functional?   Paolo Giannozzi
• [Pw_forum] How can I define a Supercell in my simulation?   Reza Kalantari
  • [Pw_forum] How can I define a Supercell in my simulation?   Paolo Giannozzi
  • [Pw_forum] How can I define a Supercell in my simulation?   Reza Kalantari
  • [Pw_forum] How can I define a Supercell in my simulation?   lan haiping
  • [Pw_forum] How can I define a Supercell in my simulation?   Giovanni Cantele
• [Pw_forum] Hybrids in PWscf   Federico Iori
  • [Pw_forum] Hybrids in PWscf   Paolo Giannozzi
    • [Pw_forum] Hybrids in PWscf   Federico Iori
      • [Pw_forum] Hybrids in PWscf   Paolo Giannozzi
  • [Pw_forum] Hybrids in PWscf   Stefano de Gironcoli
    • [Pw_forum] Hybrids in PWscf   Federico Iori
• [Pw_forum] QE with debian   Marc Segovia
  • [Pw_forum] QE with debian   lan haiping
    • [Pw_forum] QE with debian   Paolo Giannozzi
    • [Pw_forum] QE with debian   marc at fq.edu.uy
• [Pw_forum] Jonathan Li wants to chat   Jonathan Li
• [Pw_forum] (no subject)   潘登
  • [Pw_forum] (no subject)   Axel Kohlmeyer
• [Pw_forum] input/output not consistent for ibrav =0 in subroutine readmat (elphon.f90)   Yansun Yao
• [Pw_forum] Benchmarks   edu
• [Pw_forum] pseudo potential generation problem   yumin qian
  • [Pw_forum] pseudo potential generation problem   Guido Fratesi
    • [Pw_forum] pseudo potential generation problem   yumin qian
      • [Pw_forum] pseudo potential generation problem   Paolo Giannozzi
      • [Pw_forum] pseudo potential generation problem   yumin qian
• [Pw_forum] LDA+U   afsaneh daemi
  • [Pw_forum] LDA+U   Paolo Giannozzi
• [Pw_forum] Question on how PWscf handles fractional electrons of pseudohydrogens   J. J. Ramsey
  • [Pw_forum] Question on how PWscf handles fractional electrons of pseudohydrogens   Lorenzo Paulatto
    • [Pw_forum] Question on the tools used to visualize the point defects, such as vacancy and interstitial configurations.   Hongsheng Zhao
      • [Pw_forum] Question on the tools used to visualize the point defects, such as vacancy and interstitial configurations.   Paolo Giannozzi
      • [Pw_forum] Question on the tools used to visualize the point defects, such as vacancy and interstitial configurations.   Tone Kokalj
    • [Pw_forum] Question on how PWscf handles fractional electrons of pseudohydrogens   J. J. Ramsey
• [Pw_forum] pw2casino   mohaddeseh abbasnejad
  • [Pw_forum] pw2casino   Paolo Giannozzi
    • [Pw_forum] In consistence between plotnum = 7/10 (PP.x)   Zhiping Xu
      • [Pw_forum] In consistence between plotnum = 7/10 (PP.x)   Gabriele Sclauzero
      • [Pw_forum] In consistence between plotnum = 7/10 (PP.x)   Zhiping Xu
      • [Pw_forum] In consistence between plotnum = 7/10 (PP.x)   Gabriele Sclauzero
• [Pw_forum] eliminating symmetry for pw2casino   meghdad saeedian
  • [Pw_forum] eliminating symmetry for pw2casino   Gabriele Sclauzero
    • [Pw_forum] eliminating symmetry for pw2casino   Gabriele Sclauzero
      • [Pw_forum] Error in compilation QE-4.1CVS   Marino Vetuschi Zuccolini
      • [Pw_forum] Error in compilation QE-4.1CVS   J. J. Ramsey
      • [Pw_forum] Error in compilation QE-4.1CVS   Paolo Giannozzi
• [Pw_forum] Variable cell   Eyvaz Isaev
  • [Pw_forum] Variable cell   Stefano de Gironcoli
• [Pw_forum] calculation about isotope substitution   li niu
  • [Pw_forum] calculation about isotope substitution   Stefano de Gironcoli
• [Pw_forum] calculation about isotope substitution   lfhuang
• [Pw_forum] Outputs about project   潘登
  • [Pw_forum] Outputs about project   Gabriele Sclauzero
• [Pw_forum] VC-relax questions   Timothy Mason
  • [Pw_forum] Effective Charges and US-PP   Adam Jacobsson
    • [Pw_forum] Effective Charges and US-PP   Eyvaz Isaev
    • [Pw_forum] Effective Charges and US-PP   Stefano de Gironcoli
      • [Pw_forum] Effective Charges and US-PP   Adam Jacobsson
    • [Pw_forum] Effective Charges and US-PP   Paolo Giannozzi
• [Pw_forum] calculation about isotope substitution   li niu
• [Pw_forum] error in the phonon calculation! (the 19th phonon problem)   xu yuehua
• [Pw_forum] Finding atomic positions   Padmaja Patnaik
  • [Pw_forum] compile problem on BG/P   David Farrell
  • [Pw_forum] compile problem on BG/P   Paolo Giannozzi
  • [Pw_forum] compile problem on BG/P   David Farrell
  • [Pw_forum] compile problem on BG/P   Zhong-Li Liu
  • [Pw_forum] compile problem on BG/P   Paolo Giannozzi
• [Pw_forum] ab initio vs. first principles.   Hongsheng Zhao
  • [Pw_forum] ab initio vs. first principles.   Eyvaz Isaev
    • [Pw_forum] ab initio vs. first principles.   Stefano Baroni
    • [Pw_forum] ab initio vs. first principles.   Hongsheng Zhao
• [Pw_forum] ab initio vs. first principles.   Hongsheng Zhao
  • [Pw_forum] ab initio vs. first principles.   Leonardo Matheus
    • [Pw_forum] ab initio vs. first principles.   David Farrell
    • [Pw_forum] ab initio vs. first principles.   Stefano Baroni
• [Pw_forum] PWscf calculation problem （mpi and serial）   Jiaye, Li
  • [Pw_forum] PWscf calculation problem （mpi and serial）   Paolo Giannozzi
• [Pw_forum] ab initio vs. first principles   Agostino Migliore
• [Pw_forum] about phonon calculation   premlata pandit
  • [Pw_forum] about phonon calculation   Adam Jacobsson
    • [Pw_forum] about phonon calculation   Adam Jacobsson
• [Pw_forum] Slab relaxation   Jiaye, Li
• [Pw_forum] Problems in compiling pw.x and ph.x using XLF and ESSL on IBM-PPC   Zhong-Li Liu
  • [Pw_forum] Problems in compiling pw.x and ph.x using XLF and ESSL on IBM-PPC   Paolo Giannozzi
    • [Pw_forum] compiled pw, cp on a BG/P - scf.in test hangs   David Farrell
    • [Pw_forum] compiled pw, cp on a BG/P - scf.in test hangs   J. J. Ramsey
    • [Pw_forum] compiled pw, cp on a BG/P - scf.in test hangs   David Farrell
• [Pw_forum] LDA+U   Mansoureh Pashangpour
• [Pw_forum] ASR   Reza Ebraahimi
  • [Pw_forum] ASR   Stefano Baroni
• [Pw_forum] segmentation fault when using pwcond.x   Wang Qinjing
  • [Pw_forum] segmentation fault when using pwcond.x   Alexander Smogunov
• [Pw_forum] Problem on pp.x   Jiaye, Li
  • [Pw_forum] Problem on pp.x   Jiaye, Li
    • [Pw_forum] Problem on pp.x   lan haiping
    • [Pw_forum] Problem on pp.x   Paolo Giannozzi
• [Pw_forum] Problem on pp.x   Jiaye, Li
  • [Pw_forum] Problem on pp.x   lan haiping
• [Pw_forum] Workfunction from slab calculations?   Jiaye, Li
• [Pw_forum] need QHA code   Tengfei Luo
  • [Pw_forum] need QHA code   Eyvaz Isaev
    • [Pw_forum] need QHA code   Tengfei Luo
    • [Pw_forum] question on optimization   P. Ganesh
  • [Pw_forum] dynmat.x   Adam Jacobsson
    • [Pw_forum] dynmat.x   Adam Jacobsson
    • [Pw_forum] dynmat.x   Eyvaz Isaev
    • [Pw_forum] dynmat.x   giannozz at democritos.it
• [Pw_forum] Code for atomic positions of a supercell   Padmaja Patnaik
  • [Pw_forum] Code for atomic positions of a supercell   Eyvaz Isaev
  • [Pw_forum] complex band   Manoj Srivastava
• [Pw_forum] error :kpoint 7 ibnd 17 solve_linter: root not converged NaN   xu yuehua
• [Pw_forum] unknown softening of phonon modes   premlata pandit
• [Pw_forum] q-points for antifluorite structure   Bipul Rakshit
  • [Pw_forum] q-points for antifluorite structure   Eyvaz Isaev
• [Pw_forum] Consider the relativistic effect for heavy element within pwscf.   Hongsheng Zhao
  • [Pw_forum] Consider the relativistic effect for heavy element within pwscf.   Axel Kohlmeyer
• [Pw_forum] Different TRC will be obtained for the same system?   Wang Qinjing
• [Pw_forum] Problem on pp.x   Jiaye, Li
  • [Pw_forum] Problem on pp.x   J. J. Ramsey
    • [Pw_forum] Problem on pp.x   Lorenzo Paulatto
• [Pw_forum] can pwscf compute the phonon of properties of excited state?   xu yuehua
  • [Pw_forum] can pwscf compute the phonon of properties of excited state?   Axel Kohlmeyer
• [Pw_forum] problem about calculation with ph.x   lzh-ming
  • [Pw_forum] problem about calculation with ph.x   Eyvaz Isaev
    • [Pw_forum] problem about calculation with ph.x   lzh-ming
• [Pw_forum] electron-phonon interaction   penghua
  • [Pw_forum] electron-phonon interaction   Lorenzo Paulatto
• [Pw_forum] Too many data communications between nodes when run pw.x in parallel?   Wang Qinjing
  • [Pw_forum] Too many data communications between nodes when run pw.x in parallel?   Axel Kohlmeyer
• [Pw_forum] K_POINTS, tpiba or crystal   Paul M. Grant
  • [Pw_forum] K_POINTS, tpiba or crystal   Axel Kohlmeyer
  • [Pw_forum] K_POINTS, tpiba or crystal   giannozz at democritos.it
    • [Pw_forum] K_POINTS, tpiba or crystal   Paul M. Grant
      • [Pw_forum] K_POINTS, tpiba or crystal   lan haiping
      • [Pw_forum] K_POINTS, tpiba or crystal   Paolo Giannozzi
      • [Pw_forum] K_POINTS, tpiba or crystal   Paul M. Grant
• [Pw_forum] Problem on pp.x   Jiaye, Li
• [Pw_forum] Coordinate system   Dmitry Korotin
  • [Pw_forum] Coordinate system   Paolo Giannozzi
• [Pw_forum] The question of "warning: symmetry operation # 2 not compatible with FFT grid"   wang yanchao
  • [Pw_forum] The question of "warning: symmetry operation # 2 not compatible with FFT grid"   Paolo Giannozzi
• [Pw_forum] QHA Code   Abdulrafiu RAJI
  • [Pw_forum] QHA Code   Eyvaz Isaev
    • [Pw_forum] QHA Code   Tengfei Luo
      • [Pw_forum] QHA Code   Eyvaz Isaev
      • [Pw_forum] QHA Code   Tengfei Luo
• [Pw_forum] GIPAW   sezginaydin at gazi.edu.tr
  • [Pw_forum] GIPAW   Eyvaz Isaev
• [Pw_forum] Band structure   sezginaydin at gazi.edu.tr
  • [Pw_forum] Band structure   Paolo Giannozzi
• [Pw_forum] Band structure   lfhuang
• [Pw_forum] epsilon   ali kazempoor
  • [Pw_forum] epsilon   Axel Kohlmeyer

Last message date: Wed Dec 31 22:38:54 CET 2008
Archived on: Wed Dec 31 22:38:58 CET 2008

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