October 2003 Archives by thread

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Starting: Wed Oct 1 03:47:23 CEST 2003
Ending: Fri Oct 31 21:48:43 CEST 2003
Messages: 303

• [Wien] about O2   Yushan Wang
  • [Wien] about O2   Peter Blaha
    • [Wien] about O2   Yushan Wang
      • [Wien] about O2   Peter Blaha
    • [Wien] more users?   Irena Kratochvílová
      • [Wien] more users?   Peter Blaha
      • [Wien] more users?   Irena Kratochvílová
• [Wien] Initial wave function   yanming Ma
  • [Wien] (no subject)   Yushan Wang
• [Wien] (no subject)   Jorissen Kevin
• [Wien] Is this a bug?   whoming
• [Wien] Initial wave function   Jorissen Kevin
  • [Wien] Initial wave function   yanming Ma
• [Wien] crash in lapw0 [and other crashes too...]   Martin Gelfand
  • [Wien] crash in lapw0 [and other crashes too...]   Peter Blaha
    • [Wien] Question on SRC_kram   whoming
      • [Wien] Question on SRC_kram   whoming
      • [Wien] Question on SRC_kram   Torsten Andersen
      • [Wien] Question on SRC_kram   whoming
      • [Wien] Question on SRC_kram   Fred Nastos
      • [Wien] Question on SRC_kram   whoming
• [Wien] Re: How edit to plot zero energy at top of valance band   Bagher Ahmadi
  • [Wien] Energy level   Lukasz Plucinski
    • [Wien] Energy level   Peter Blaha
      • [Wien] Energy level   Lukasz Plucinski
  • [Wien] Re: How edit to plot zero energy at top of valance band   Peter Blaha
• [Wien] (no subject)   Natalia Perkins
  • [Wien] (no subject)   Peter Blaha
    • [Wien] (no subject)   Natalia Perkins
    • [Wien] quasiparticles   koitzsch
      • [Wien] quasiparticles   Stefaan Cottenier
      • [Wien] quasiparticles   Ashok Kumar Verma
• [Wien] Fermi-error   Jorissen Kevin
  • [Wien] Fermi-error   buero at luitz.at
• [WIEN] : FERMI-ENERGY   Ma Chi Chiu
  • [WIEN] : FERMI-ENERGY   Ma Chi Chiu
• [Wien] Monoclinic (space group P-1) does not converge with spin-orbit (SO).   Daniel Bilc
• [Wien] K point changed with Spin-orbital coupling.   yanming Ma
  • [Wien] K point changed with Spin-orbital coupling.   yanming Ma
    • [Wien] K point changed with Spin-orbital coupling.   Peter Blaha
      • [Wien] K point changed with Spin-orbital coupling.   yanming Ma
      • [Wien] K point changed with Spin-orbital coupling.   yanming Ma
      • [Wien] K point changed with Spin-orbital coupling.   Peter Blaha
      • [Wien] K point changed with Spin-orbital coupling.   Stefaan Cottenier
      • [Wien] K point changed with Spin-orbital coupling.   Peter Blaha
      • [Wien] K point changed with Spin-orbital coupling.   Stefaan Cottenier
      • [Wien] K point changed with Spin-orbital coupling.   yanming Ma
• [WIEN] : FERMI-ENERGY   Jorissen Kevin
• [WIEN] : FERMI-ENERGY   Jorissen Kevin
• [Wien] Monoclinic (space group P-1) does not converge with sp in-orbit (SO).   Carrier, Pierre
• [Wien] Fermi-error   Neerja
  • [Wien] Fermi-error   Peter Blaha
• [Wien] crash in lapw0 [and other crashes too...]   gelfand
  • [Wien] how to calculate the DOS of p(sigma) or p(pi)   Yushan Wang
  • [Wien] crash in lapw0 [and other crashes too...]   Peter Blaha
• [Wien] Fermi-error   Jorissen Kevin
  • [Wien] Fermi-error   Steven Homolya
• [Wien] how to calculate the DOS of p(sigma) or p(pi)   Jorissen Kevin
  • [Wien] how to calculate the DOS of p(sigma) or p(pi)   Peter Blaha
• [Wien] Wien2k with load-distributing systems   Jorissen Kevin
• [Wien] lapw2 error   Toshio KAMIYA
• [Wien] lapw2 error   Jorissen Kevin
  • [Wien] lapw2 error   Toshio KAMIYA
    • [Wien] lapw2 error   Peter Blaha
      • [Wien] mailing list etiquette   Steven Homolya
      • [Wien] lapw2 error   tkamiya at rlem.titech.ac.jp
      • [Wien] optimize the structure by WIEN2k   Bing Zhou
      • [Wien] optimize the structure by WIEN2k   Peter Blaha
• [Wien] Including split-positions into the struct-file?   Michael Frotscher
  • [Wien] Including split-positions into the struct-file?   Peter Blaha
    • [Wien] Including split-positions into the struct-file?   Michael Frotscher
      • [Wien] Including split-positions into the struct-file?   Stefaan Cottenier
      • [Wien] Including split-positions into the struct-file?   Michael Frotscher
• [Wien] Re: ifc and redhat 9   David Pankhurst
• [Wien] (no subject)   Haiyue
• [Wien] (no subject)   zhang YS Zhang
  • [Wien] (no subject)   Peter Blaha
    • [Wien] XPS/UPS   Ponniah Ravindran
• [Wien] (no subject)   Neerja
  • [Wien] (no subject)   Peter Blaha
• [Wien] edge dislocation calculation with FLAPW?   翠玉 耿
• [Wien] AFM LaMNO3 Symmetry   Natalia Perkins
  • [Wien] AFM LaMNO3 Symmetry   Stefaan Cottenier
    • [Wien] AFM LaMnO3 lapw1up error   Natalia Perkins
      • [Wien] AFM LaMnO3 lapw1up error   Stefaan Cottenier
      • [Wien] AFM LaMnO3   Natalia Perkins
• [Wien] Plotting the Coulomb potential   stolbov
  • [Wien] Plotting the Coulomb potential   Peter Blaha
• [Wien] Optics with spin-polarization   Chukwuemeka Okoye
• [Wien] Optics with spin-polarization   Chukwuemeka Okoye
• [Wien] "x nn" problem   Bing Zhou
  • [Wien] "x nn" problem   Lukasz Plucinski
• [Wien] LDA+U & External Field   Sherif Yehia
  • [Wien] LDA+U & External Field   Peter Blaha
  • [Wien] LDA+U & External Field   Pavel Novak
    • [Wien] LDA+U & External Field   Sherif Yehia
      • [Wien] LDA+U & External Field   Pavel Novak
      • [Wien] LDA+U & External Field   Peter Blaha
      • [Wien] LDA+U & External Field   Pavel Novak
      • [Wien] LDA+U & External Field   Sherif Yehia
• [Wien] XPS/UPS   zhang YS Zhang
• [Wien] About orbital magnetic moment in LSDA+SO calculation   whoming at sohu.com
  • [Wien] About orbital magnetic moment in LSDA+SO calculation   Stefaan Cottenier
    • [Wien] About orbital magnetic moment in LSDA+SO calculation   whoming
      • [Wien] About orbital magnetic moment in LSDA+SO calculation   Stefaan Cottenier
• [Wien] "x nn" problem   Jorissen Kevin
  • [Wien] "x nn" problem   Bing Zhou
• [Wien] partial density for f states   music at theory.issp.ac.cn
  • [Wien] Core level shifts   Lukasz Plucinski
    • [Wien] Core level shifts   Michael Gurnett
      • [Wien] Core level shifts   Lukasz Plucinski
      • [Wien] Core level shifts   Michael Gurnett
      • [Wien] Core level shifts   Peter Blaha
  • [Wien] partial density for f states   Peter Blaha
• [Wien] StructGen: perlscripts having trouble with large constructions?   Michael Frotscher
  • [Wien] StructGen: perlscripts having trouble with large constructions?   buero at luitz.at
• [Wien] Optics with spin-polarization   Chukwuemeka Okoye
• [Wien] re-useing previous charge density gives strange total energy   Hu, Qing Miao
  • [Wien] re-useing previous charge density gives strange total energy   Hu, Qing Miao
    • [Wien] re-useing previous charge density gives strange total energy   Peter Blaha
• [Wien] "x nn" problem   Jorissen Kevin
• [Wien] partial density for f states   Jorissen Kevin
• [Wien] CORE electrons leaking out in file.outputst   翠玉 耿
• [Wien] CORE electrons leaking out in file.outputst   xn22 at drexel.edu
  • [Wien] CORE electrons leaking out in file.outputst   翠玉 耿
• [Wien] CORE electrons leaking out in file.outputst   Jorissen Kevin
  • [Wien] CORE electrons leaking out in file.outputst   翠玉 耿
• [Wien] partial density for f states   Jorissen Kevin
  • [Wien] partial density for f states   music at theory.issp.ac.cn
• [Wien] w2web   Dr.R.K.Thapa
  • [Wien] w2web   Lukasz Plucinski
• [Wien] Optimizations for IBM p630 Power4+ anyone?   Torsten Andersen
  • [Wien] Optimizations for IBM p630 Power4+ anyone?   Rossitza Pentcheva
• [Wien] Inst file for Platinum   M. Todorova
• [Wien] Inst file for Platinum   Jorissen Kevin
• [Wien] where can i find the energy to eliminate semicore states   Michael Frotscher
• [Wien] CORE electrons leaking out in file.outputst   Jorissen Kevin
• [Wien] where can i find the energy to eliminate semicore states   Jorissen Kevin
  • [Wien] where can i find the energy to eliminate semicore states   Michael Frotscher
    • [Wien] where can i find the energy to eliminate semicore states   Peter Blaha
      • [Wien] where can i find the energy to eliminate semicore states   Michael Frotscher
      • [Wien] where can i find the energy to eliminate semicore states   Peter Blaha
      • [Wien] where can i find the energy to eliminate semicore states   Michael Frotscher
      • [Wien] where can i find the energy to eliminate semicore states   Peter Blaha
• [Wien] Optics with spin-polarization   Chukwuemeka Okoye
• [Wien] AFM LaMnO3   Jorissen Kevin
  • [Wien] AFM LaMnO3   Lyudmila Dobysheva
• [Wien] optimization   behnam behnam
  • [Wien] optimization   Steven Homolya
  • [Wien] optimization   Lukasz Plucinski
    • [Wien] optimization   Torsten Andersen
      • [Wien] optimization   Torsten Andersen
• [Wien] Re: Welcome to the "Wien" mailing list   Matthew.Carey at hgst.com
• [Wien] Magnetic moments!!   zufengxia at sohu.com
  • [Wien] Magnetic moments!!   Lyudmila Dobysheva
  • [Wien] Magnetic moments!!   Andrei Postnikov
• [Wien] maximum number of supercell atoms calculated in wien2k   翠玉 耿
  • [Wien] maximum number of supercell atoms calculated in wien2k   Torsten Andersen
• [Wien] "Slab-structure" using WIEN2k   Bing Zhou
• [Wien] Re: Welcome to the "Wien" mailing list   Jorissen Kevin
• [Wien] CORE electrons leaking out in file.outputst   Jorissen Kevin
  • [Wien] CORE electrons leaking out in file.outputst   翠玉 耿
• [Wien] maximum number of supercell atoms calculated in wien2k   Jorissen Kevin
• [Wien] "Slab-structure" using WIEN2k   Jorissen Kevin
• [Wien] where can i find the energy to eliminate semicore states   Jorissen Kevin
• [Wien] optic and APW+lo   Victor Shaposhnikov
  • [Wien] optic and APW+lo   Torsten Andersen
  • [Wien] optic and APW+lo   Peter Blaha
    • [Wien] optic and APW+lo   Torsten Andersen
• [Wien] Wien2k compilation on Opteron   M. Todorova
  • [Wien] Wien2k compilation on Opteron   Javier Fuhr
    • [Wien] Wien2k compilation on Opteron   M. Todorova
• [Wien] maximum number of supercell atoms calculated in wien2k   xn22 at drexel.edu
• [Wien] supercell minimisation   Michael Gurnett
• [Wien] Re: Welcome to the "Wien" mailing list   Matthew.Carey at hgst.com
  • [Wien] Space group C1   Bing Zhou
• [Wien] Total energy vs temperature   Yue Hai
• [Wien] inscribe   youyou mimiche
• [Wien] Re: Welcome to the "Wien" mailing list (Digest mode)   rami sayf
• [Wien] [SPAM?] Modify the supercell-structure file!   mengqiu cai
  • [Wien] Modify the supercell-structure file!   Stefaan Cottenier
• [Wien] Pt atom in a box   M. Todorova
  • [Wien] Pt atom in a box   Peter Blaha
    • [Wien] Pt atom in a box   M. Todorova
    • [Wien] Pt atom in a box   Laxmidhar Senapati
    • [Wien] Convergence problem   stargmoon
      • [Wien] Convergence problem   Peter Blaha
      • [Wien] Convergence problem   Steven Homolya
      • [Wien] Convergence problem   stargmoon
• [Wien] Pt atom in a box   j.dasilva at fz-juelich.de
• [Wien] Pt atom in a box   xn22 at drexel.edu
• [Wien] K points generated by Xcrysden   yanming Ma
  • [Wien] K points generated by Xcrysden   Florent Boucher
  • [Wien] about the case.outputx   Yushan Wang
    • [Wien] about the case.outputx   Peter Blaha
• [Wien] Compile problems   Pio Bättig
  • [Wien] Compile problems   Michael Ryan Hansen
    • [Wien] Compile problems   Pio Bättig
• [Wien] Modify the supercell-structure file!   mengqiu cai
  • [Wien] Modify the supercell-structure file!   Stefaan Cottenier
    • [Wien] Modify the supercell-structure file!   Jeff Spirko
  • "fixing" hand-made struct files [Re: [Wien] Modify the supercell-structure file!]   Steven Homolya
    • "fixing" hand-made struct files [Re: [Wien] Modify the supercell-structure file!]   Steven Homolya
• [Wien] Secure conection and w2web plotting   Pablo de la Mora
  • [Wien] Secure conection and w2web plotting   buero at luitz.at
• [Wien] unoccupied DOS continuum states   Lamoen Dirk
  • [Wien] unoccupied DOS continuum states   Peter Blaha
• "fixing" hand-made struct files [Re: [Wien] Modify thesupercell-structure file!]   Jorissen Kevin
  • "fixing" hand-made struct files [Re: [Wien] Modify thesupercell-structure file!]   Steven Homolya
• [Wien] lapw1-parallel   mkhsabra at aec.org.sy
• [Wien] lapw1-parallel   Jorissen Kevin
  • [Wien] lapw1-parallel   mkhsabra at aec.org.sy
• [Wien] unoccupied DOS continuum states   Jorissen Kevin
• [Wien] The space group transformation from C1 to P1   Bing Zhou
• [Wien] Projected density of states   Leonardo Pisani
  • [Wien] Projected density of states   Peter Blaha
    • [Wien] about the E (TOP) of O   Yushan Wang
      • [Wien] dstart or symmetry problem   Bing Zhou
      • [Wien] about the E (TOP) of O   Stefaan Cottenier
      • [Wien] about the E (TOP) of O   Yushan Wang
      • [Wien] about the E (TOP) of O   Stefaan Cottenier
      • [Wien] about the E (TOP) of O   Yushan Wang
• [Wien] Question about deformation tensor   Edmundo Lopez Apreza
  • [Wien] about the case.outputx file   Yushan Wang
  • [Wien] Question about deformation tensor   Peter Blaha
• [Wien] Modify the supercell-structure file!   mengqiu cai
• [Wien] The space group transformation from C1 to P1   Jorissen Kevin
• [Wien] Exchange interaction parameters   Victor Shaposhnikov
  • [Wien] Exchange interaction parameters   Vladimir Timochevski
• [Wien] supercell minimisation   Jorissen Kevin
• [Wien] Large number of k-points in IBZ   Chukwuemeka Okoye
• [Wien] Optimize.job   Ye Zhu
  • [Wien] Optimize.job   Peter Blaha
• [Wien] Pt atom in a box   xn22 at drexel.edu
• [Wien] No Force (:FOR, :FCA, or :FGL) in SCF files   Li, Tonglei
• [Wien] Segmentation fault in AIM process   Wwenhui Xie
  • [Wien] Segmentation fault in AIM process   Peter Blaha
    • [Wien] Segmentation fault in AIM process   Wwenhui Xie
      • [Wien] Segmentation fault in AIM process   Gus Hart
• [Wien] (no subject)   genghua
• [Wien] k-point parallel wrong   genghua
  • [Wien] k-point parallel wrong   Peter Blaha
• [Wien] (no subject)   genghua
• [Wien] Allocate error 494   genghua
  • [Wien] Allocate error 494   Li Wang
    • [Wien] Allocate error 494   Peter Blaha
  • [Wien] Allocate error 494   Li Wang
• [Wien] XCrysden   behnam behnam
• [Wien] AFM calculation for NiO   Ye Zhu
  • [Wien] AFM calculation for NiO   Lyudmila Dobysheva
    • [Wien] AFM calculation for NiO   Ye Zhu
  • [Wien] AFM calculation for NiO   herta.silvia.effenberger at univie.ac.at
• [Wien] compilation problem   Laxmidhar Senapati
  • [Wien] compilation problem   Laxmidhar Senapati
    • [Wien] compilation problem   Peter Blaha
      • [Wien] compilation problem   Laxmidhar Senapati
      • [Wien] compilation problem   Peter Blaha
      • [Wien] compilation problem   Irena Kratochvílová
• [Wien] LDA+U   Sergey Streltsov
  • [Wien] LDA+U   Stefaan Cottenier
    • [Wien] LDA+U   stargmoon
• [Wien] Large no of K-points in the IBZ   Chukwuemeka Okoye
  • [Wien] Large no of K-points in the IBZ   Peter Blaha
    • [Wien] Large no of K-points in the IBZ   Chukwuemeka Okoye
      • [Wien] Large no of K-points in the IBZ   Peter Blaha
      • [Wien] Large no of K-points in the IBZ   Chukwuemeka Okoye
      • [Wien] Large no of K-points in the IBZ   Peter Blaha
      • [Wien] Large no of K-points in the IBZ   Peter Blaha
• [Wien] questions about "supercell"   Bing Zhou
  • [Wien] questions about "supercell"   Lukasz Plucinski
• [Wien] (no subject)   panzhijun2002 at sjtu.edu.cn
  • [Wien] (no subject)   Stefaan Cottenier
    • [Wien] (no subject)   Sergio L. Palacios
  • [Wien] (no subject)   Sergio L. Palacios
• [Wien] high-symmetry lines for bandstructure   Griselda Garcia
  • [Wien] high-symmetry lines for bandstructure   Mr C.A. Bridges
• [Wien] AFM calculation for NiO   Ye Zhu
  • [Wien] AFM calculation for NiO   Peter Blaha
    • [Wien] AFM calculation for NiO   Ye Zhu
• [Wien] How to determine the positions of atoms in cell?   panzhijun2002 at sjtu.edu.cn
  • [Wien] about the fermi level   Yushan Wang
    • [Wien] about the fermi level   Andrei Postnikov
    • [Wien] about the fermi level   Stefaan Cottenier
      • [Wien] about the fermi level   Yushan Wang
  • [Wien] About intra-band contribution to optical properties   whoming
  • [Wien] How to determine the positions of atoms in cell?   thomas.mazet
• [Wien] Input/Output Error 154 during SCF-calculation   Michael Frotscher
• [Wien] k-list: how to modify it?   Bertoni Giovanni
  • [Wien] k-list: how to modify it?   Torsten Andersen
  • [Wien] k-list: how to modify it?   Peter Blaha
    • [Wien] thanks!   Bertoni Giovanni
    • [Wien] How to continue SCF after the process is killed?   翠玉 耿
      • [Wien] How to continue SCF after the process is killed?   Stefaan Cottenier
      • [Wien] How to continue SCF after the process is killed?   Peter Blaha
      • [Wien] LAPW2 stops   Natalia Perkins
      • [Wien] LAPW2 stops   Peter Blaha
      • [Wien] How to continue SCF after the process is killed?   Peter Blaha
• [Wien] questions about "supercell"   Lukasz Plucinski
• [Wien] The position of O   panzhijun2002 at sjtu.edu.cn
  • [Wien] The position of O   Steven Homolya
• [Wien] What is wrong with the DOS of TiO2 ?   panzhijun2002 at sjtu.edu.cn
  • [Wien] What is wrong with the DOS of TiO2 ?   koitzsch
• [Wien] To Professor Blaha!!!   panzhijun2002 at sjtu.edu.cn

Last message date: Fri Oct 31 21:48:43 CEST 2003
Archived on: Wed Jul 6 14:14:09 CEST 2005

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