November 2004 Archives by thread

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Starting: Mon Nov 1 04:44:08 CEST 2004
Ending: Tue Nov 30 20:57:24 CEST 2004
Messages: 238

• [Wien] "sumrules is empty-no plot produced"   taiiebeh molarooy
• [Wien] how to decompose the f state into m= -3, -2, -1, 0, 1,2,3.   Peter Blaha
  • [Wien] how to decompose the f state into m= -3, -2, -1, 0, 1,2,3.   Yushan Wang
• [Wien] Lapw0 error   Torsten Andersen
• [Wien] Lapw0 error   Batyrev, Iskander
  • [Wien] Photonic Crystal   Sherif Yehia
    • [Wien] Photonic Crystal   Fred Nastos
• [Wien] Photonic Crystal   Batyrev, Iskander
• [Wien] Lapw0 error   Batyrev, Iskander
• [Wien] workshop 2005   Peter Blaha
  • [Wien] about the LDA+U   Yushan Wang
    • [Wien] about the LDA+U   jan kunes
      • [Wien] about the LDA+U   Yushan Wang
      • [Wien] about the LDA+U   jan kunes
      • [Wien] about the LDA+U   Yushan Wang
• [Wien] ELNES spectra   Bertoni Giovanni
• [Wien] ELNES spectra   Jorissen Kevin
  • [Wien] ELNES spectra: found   Bertoni Giovanni
• [Wien] ELNES spectra: found   Jorissen Kevin
• [Wien] space group + number of atoms and positions   apu at veccal.ernet.in
  • [Wien] space group + number of atoms and positions   Stefaan Cottenier
• [Wien] local rotation matrice   Lionel Truflandier
  • [Wien] x spaghetti   Holger Kleinke
    • [Wien] x spaghetti   Peter Blaha
  • [Wien] local rotation matrice   Peter Blaha
• [Wien] Electron density   Leonardo Pisani
  • [Wien] Electron density   Peter Blaha
    • [Wien] Electron density (2)   Leonardo Pisani
• [Wien] new version   Peter Blaha
  • [Wien] ELNES (complex case)   Bertoni Giovanni
  • [Wien] new version & LDA+U for triclinic system   Hua Wu
• [Wien] otimization of V   Belkadi Amina
• [Wien] ELNES (complex case)   Jorissen Kevin
• [Wien] re :hi   Belkadi Amina
• [Wien] Parallel execution & indenpendent scratch disks   Kirk Feindel
  • [Wien] Parallel execution & indenpendent scratch disks   Torsten Andersen
• [Wien] otimization of V   Jorissen Kevin
• [Wien] Re: DOS Problems and tetra using intel ifc8.1 -r8 option   Jorissen Kevin
• [Wien] lcore stops   Fred Nastos
  • [Wien] lcore stops   Peter Blaha
    • [Wien] lcore stops   Fred Nastos
      • [Wien] lcore stops   Peter Blaha
      • [Wien] lcore stops   Fred Nastos
• [Wien] MgB2 in Wien2k   Atul Agnihotri
  • [Wien] ÑÏ: [Wien] MgB2 in Wien2k   Hamid.Alaa
  • [Wien] MgB2 in Wien2k   Franco Jona
• [Wien] "sumrules is empty-no plot produced"   taiiebeh molarooy
• [Wien] The number of PW and l   lu wei
  • [Wien] The number of PW and l   Peter Blaha
• [Wien] lcore stops   Jorissen Kevin
  • [Wien] lcore stops   Fred Nastos
• [Wien] (no subject)   Belkadi Amina
• [Wien] (no subject)   Belkadi Amina
• [Wien] (no subject)   Belkadi Amina
• [Wien] AFM calculation with FSM method   Sergio L. Palacios Diaz
  • [Wien] AFM calculation with FSM method   Peter Blaha
    • [Wien] AFM calculation with FSM method   Sergio L. Palacios Diaz
  • [Wien] AFM calculation with FSM method   Jesus Angel Blanco Rodriguez
  • [Wien] AFM calculation with FSM method   Lyudmila Dobysheva
    • [Wien] AFM calculation with FSM method   Sergio L. Palacios Diaz
• [Wien] (no subject)   Jorissen Kevin
• [Wien] calculating elastic contants.   Peiman Rezaeian
• [Wien] solar cell   sam
  • [Wien] solar cell   Saeid Jalali
• [WIEN] Error message   Lukasz Plucinski
• [WIEN] Error message   Jorissen Kevin
• [Wien] Endless cycle in complex calculation   Shu Miao
• [Wien] Endless cycle in complex calculation   Jorissen Kevin
  • [Wien] Endless cycle in complex calculation   Shu Miao
• [Wien] force in PORT   Jack London
  • [Wien] force in PORT   L. D. Marks
• [Wien] Huge Forces   stargmoon
• [Wien] Huge Forces   Jorissen Kevin
  • [Wien] Huge Forces   L. D. Marks
• [Wien] LDA+U for reduced TiO2-x phases   L. D. Marks
  • [Wien] LDA+U for reduced TiO2-x phases   Yushan Wang
• [Wien] mkl70cluster and intel mpi   Michael Gurnett
  • [Wien] mkl70cluster and intel mpi   C J Kenneth Tan -- OptimaNumerics
    • [Wien] mkl70cluster and intel mpi   Michael Gurnett
• [Wien] Volume Optimization   apu at veccal.ernet.in
• [Wien] Huge Forces   Jorissen Kevin
  • [Wien] Huge Forces   stargmoon
• [Wien] warning in mini with PORT   L.Z. Sun
• [Wien] DOS smearing   liuzw03 at st.lzu.edu.cn
• [Wien] How can I run LDA+U?   Ali Afshar
  • [Wien] How can I run LDA+U?   Stefaan Cottenier
• [Wien] Volume Optimization   apu at veccal.ernet.in
  • [Wien] Volume Optimization   Stefaan Cottenier
  • [Wien] Volume Optimization   Torsten Andersen
• [Wien] Volume Optimization   apu at veccal.ernet.in
• [Wien] Volume Optimization   Jorissen Kevin
• [Wien] to Dr. Cottenier   Ali Afshar
  • [Wien] to Dr. Cottenier   Stefaan Cottenier
• [Wien] TOT ENE   fabella
  • [Wien] TOT ENE   Stefaan Cottenier
  • [Wien] TOT ENE -> vacancy energy   MARC CAWKWELL
    • [Wien] TOT ENE -> vacancy energy   Stefaan Cottenier
      • [Wien] TOT ENE -> vacancy energy   MARC CAWKWELL
    • [Wien] optimization doku   Peter Blaha
      • [Wien] optimization doku   Jack London
      • [Wien] optimization doku   L. D. Marks
      • [Wien] optimization doku   Jack London
  • [Wien] TOT ENE -> Vacancy formation energy   MARC CAWKWELL
• [Wien] To LO or not to LO ?   L. D. Marks
  • [Wien] To LO or not to LO ?   Peter Blaha
    • [Wien] To LO or not to LO ?   L. D. Marks
• [Wien] calculating elastic contants.   Jorissen Kevin
• [Wien] (no subject)   music at theory.issp.ac.cn
  • [Wien] (no subject)   Saeid Jalali
  • [Wien] (no subject)   Peter Blaha
• [Wien] Volume Optimization   Ling Miao
  • [Wien] Volume Optimization   Peter Blaha
• [Wien] GGA and lanthanides   Bahram Abedi Ravan
  • [Wien] GGA and lanthanides   Saeid Jalali
  • [Wien] GGA and lanthanides   Stefaan Cottenier
    • [Wien] GGA and lanthanides   Peter Blaha
      • [Wien] GGA and lanthanides   Stefaan Cottenier
  • [Wien] GGA and lanthanides   Torsten Andersen
• [Wien] calculating elastic tensors   Peiman Rezaeian
  • [Wien] calculating elastic tensors   Stefaan Cottenier
• [Wien] Optical properties including spin-orbit   Chukwuemeka Okoye
  • [Wien] Optical properties including spin-orbit   Fred Nastos
• [Wien] GGA and lanthanides ( more details )   Bahram Abedi Ravan
• [Wien] lapw2 error   Jailton Almeida
• [Wien] ENE Si vacancy   fabella
  • [Wien] ENE Si vacancy   Stefaan Cottenier
  • [Wien] ENE Si vacancy   Peter Blaha
• [Wien] parallel compile seems to default to rsh   Michael Gurnett
• [Wien] zero DOS problem...   Aycan Yurtsever
  • [Wien] zero DOS problem...   Stefaan Cottenier
• [Wien] parallel compile seems to default to rsh   Jorissen Kevin
  • [Wien] parallel compile seems to default to rsh   Michael Gurnett
• [Wien] Comparison between bulk and slab 2P core-levels   Michael Gurnett
• [Wien] volume optimization and case.in1 file   Ling Miao
  • [Wien] volume optimization and case.in1 file   Stefaan Cottenier
    • [Wien] Decomposition of total energy   Abir De Sarkar
      • [Wien] structural minimization   Lyudmila Dobysheva
      • [Wien] structural minimization   Peter Blaha
      • [Wien] structural minimization   Alain MICHALOWICZ
      • [Wien] structural minimization   Michel Jaouen
      • [Wien] Decomposition of total energy   Peter Blaha
• [Wien] Are there difference between the cohesive energy and chemical potential?   panzhijun2002
  • [Wien] Are there difference between the cohesive energy and chemical potential?   Saeid Jalali
• [Wien] Are there difference between the cohesive energy and chemical potential?   L.Z. Sun
  • [Wien] Are there difference between the cohesive energy and chemical potential?   Saeid Jalali
• [Wien] Are there difference between the cohesive energy and chemical potential?   L.Z. Sun
• [Wien] Error in lapw1para   abbasali dehghan
• [Wien] compiler with ifc70+mkl60 or ifc71+mkl70   zhang YS Zhang
  • [Wien] compiler with ifc70+mkl60 or ifc71+mkl70   fecher
    • [Wien] compiler with ifc70+mkl60 or ifc71+mkl70   zhang YS Zhang
      • [Wien] compiler with ifc70+mkl60 or ifc71+mkl70   L. D. Marks
• [Wien] How calculate the ebergy of various stacking atoms   Bagher Ahmadi
• [Wien] Can the wien2k software be installed in the platform SGI-Onyx3800?   panzhijun2002
  • [Wien] Can the wien2k software be installed in the platform SGI-Onyx3800?   Torsten Andersen
• [Wien] CHA and QTL in file.scf2   lin zhou
  • [Wien] CHA and QTL in file.scf2   Stefaan Cottenier
• [Wien] problem in l2main.F (parallel version) for large systems   Valerio Bellini
  • [Wien] problem in l2main.F (parallel version) for large systems   Wenhui Xie
  • [Wien] problem in l2main.F (parallel version) for large systems   Wenhui Xie
• [Wien] GGA+U   Leonardo Pisani
  • [Wien] GGA+U   Stefaan Cottenier
    • [Wien] GGA+U   Leonardo Pisani
      • [Wien] GGA+U   Stefaan Cottenier
      • [Wien] GGA+U   Pavel Novak
      • [Wien] GGA+U   Stefaan Cottenier
      • [Wien] GGA+U   Pavel Novak
• [Wien] Addition to "problem in l2main.F (parallel version) for large systems"   Valerio Bellini
• [Wien] Wien2K with f77 compiler   Pedro Costa
  • [Wien] Wien2K with f77 compiler   Stefaan Cottenier
  • [Wien] Wien2K with f77 compiler   Torsten Andersen
• [Wien] SIGMA OF V-XC FIT   L. D. Marks
  • [Wien] SIGMA OF V-XC FIT   Peter Blaha
• [Wien] Is there any effect on the calculation results for different substitution sites?   panzhijun2002
  • [Wien] Is there any effect on the calculation results for different substitution sites?   Stefaan Cottenier
  • [Wien] Is there any effect on the calculation results for different substitution sites?   Torsten Andersen
• [Wien] Is there any effect on the calculation results for different substitution sites?   Jorissen Kevin
• [Wien] first run wien2k_4 problem   Bohdan Andriyevsky
  • [Wien] first run wien2k_4 problem   Stefaan Cottenier
• [Wien] first run wien2k_4 problem   Jorissen Kevin
• [Wien] ELNES input files   Shu Miao
  • [Wien] ELNES input files   Peter Blaha
• [Wien] Once again about Ni non-magnetic bcc calculation   Dominik Legut
  • [Wien] Once again about Ni non-magnetic bcc calculation   Lyudmila Dobysheva
  • [Wien] Once again about Ni non-magnetic bcc calculation   Peter Blaha
• [Wien] U & J values for Cobalt   Dr. Sharat Chandra
  • [Wien] U & J values for Cobalt   Valerio Bellini
    • [Wien] U & J values for Cobalt   Dr. Sharat Chandra
• [Wien] ELNES input files   Jorissen Kevin
• [Wien] Optical properties   Chukwuemeka Okoye
  • [Wien] Optical properties   Roberto Emilio Alonso
• [Wien] XCrysDen does not open   Sergiusz Osuchowski
• [Wien] L10 ordered supercell   ercan uçgun
• [Wien] Partial charges inside atomic spheres   stargmoon
• [Wien] incorrect distribution over parallel nodes   Igor Mazin
  • [Wien] incorrect distribution over parallel nodes   Peter Blaha
• [Wien] Partial charges inside atomic spheres   Jorissen Kevin
  • [Wien] Partial charges inside atomic spheres   stargmoon
• [Wien] optic under parallel   WANG Yuan Xu
• [Wien] Optical properties   Chukwuemeka Okoye
  • [Wien] Optical properties   Fred Nastos
    • [Wien] Optical properties   Chukwuemeka Okoye
      • [Wien] Optical properties   Fred Nastos
      • [Wien] Optical properties   Chukwuemeka Okoye
      • [Wien] Optical properties   Fred Nastos
• [Wien] incorrect distribution over parallel nodes - Resolved   Igor Mazin
• [Wien] question about sgroup   Fred Nastos
  • [Wien] question about sgroup   georg at chem.au.dk
• [Wien] (no subject)   SENAPATI, Laxmidhar
  • [Wien] (no subject)   Javad Hashemifar
• [Wien] EV GGA and property calculation   Dr. Sharat Chandra
  • [Wien] EV GGA and property calculation   Fred Nastos
• [Wien] The calculated-error of the magnetic moment   ccmp at nju.edu.cn
  • [Wien] The calculated-error of the magnetic moment   Stefaan Cottenier
• [Wien] The calculated-error of the magnetic moment   ccmp at nju.edu.cn
  • [Wien] The calculated-error of the magnetic moment   Torsten Andersen
  • [Wien] The calculated-error of the magnetic moment   Peter Blaha
  • [Wien] The calculated-error of the magnetic moment   fecher
• [Wien] How to install on IBM p650   kongshi
  • [Wien] How to install on IBM p650   Torsten Andersen
• [Wien] small bug in sgroup   Stefano Rubino
  • [Wien] small bug in sgroup   Peter Blaha
• [Wien] Energy, forces and muffin tin radii   Leonardo Pisani
  • [Wien] Energy, forces and muffin tin radii   Stefaan Cottenier
    • [Wien] Energy, forces and muffin tin radii   L. D. Marks
      • [Wien] Energy, forces and muffin tin radii   Stefaan Cottenier
    • [Wien] Energy, forces and muffin tin radii   Leonardo Pisani
      • [Wien] Energy, forces and muffin tin radii   Stefaan Cottenier
      • [Wien] Energy, forces and muffin tin radii   Leonardo Pisani
      • [Wien] Energy, forces and muffin tin radii   Stefaan Cottenier
• [Wien] To LO or not to LO ?   L. D. Marks
  • [Wien] To LO or not to LO ?   Peter Blaha
• [Wien] RE:how to install on IBM p650 (to Torsten Andersen)   kongshi
  • [Wien] RE:how to install on IBM p650 (to Torsten Andersen)   Torsten Andersen
• [Wien] How to prevent parallel runs ?   fecher
  • [Wien] How to prevent parallel runs ?   Torsten Andersen
  • [Wien] How to prevent parallel runs ?   Peter Blaha
    • [Wien] How to prevent parallel runs ?   fecher
      • [Wien] How to prevent parallel runs ?   buero at luitz.at

Last message date: Tue Nov 30 20:57:24 CEST 2004
Archived on: Wed Jul 6 14:14:21 CEST 2005

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