October 2004 Archives by thread

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Starting: Fri Oct 1 08:19:37 CEST 2004
Ending: Sun Oct 31 22:00:15 CEST 2004
Messages: 286

• [Wien] nnn error in lapw1   Peter Blaha
  • [Wien] LAPW1 crashed!   Mahmoud Payami
    • [Wien] LAPW1 crashed!   Mahmoud Payami
  • [Wien] nnn error in lapw1   EB Lombardi
    • [Wien] Core-state in Band structure plot   Sherif Yehia
      • [Wien] Core-state in Band structure plot   Stefaan Cottenier
    • [Wien] nnn error in lapw1   Peter Blaha
      • [Wien] nnn error in lapw1   EB Lombardi
      • [Wien] nnn error in lapw1   Peter Blaha
      • [Wien] nnn error in lapw1   EB Lombardi
      • [Wien] bug in w2web?   Dr. Sharat Chandra
• [Wien] final states and case.inc   Michael Gurnett
• [Wien] final states and case.inc   Jorissen Kevin
  • [Wien] final states and case.inc   Michael Gurnett
    • [Wien] final states and case.inc   Peter Blaha
• [Wien] k-points for optic   shokoufe khosravi
  • [Wien] k-points for optic   Torsten Andersen
• [Wien] DOS of Sr2RuO4   gpzhang
  • [Wien] DOS of Sr2RuO4   Peter Blaha
  • [Wien] spin-orbit and forces   Stefaan Cottenier
    • [Wien] spin-orbit and forces   Peter Blaha
      • [Wien] spin-orbit and forces   Stefaan Cottenier
• [Wien] case.in1 file and Local Orbitals   francesco d'acapito
  • [Wien] case.in1 file and Local Orbitals   Peter Blaha
  • [Wien] case.in1 file and Local Orbitals   francesco d'acapito
  • [Wien] runafm and parallel execution   Stefaan Cottenier
• [Wien] InP supercell   mkhsabra at aec.org.sy
  • [Wien] InP supercell   Stefaan Cottenier
    • [Wien] InP supercell   mkhsabra at aec.org.sy
      • [Wien] InP supercell   Stefaan Cottenier
• [Wien] Local magnetism in Wien   L. D. Marks
• [Wien] antimony(Sb) calculation   Zhou Taojun
• [Wien] machines file ... again   Griselda Garcia
• [Wien] machines file ... again   Jorissen Kevin
  • [Wien] machines file ... again   Griselda Garcia
    • [Wien] machines file ... again   Torsten Andersen
    • [Wien] Too large afminput   Lyudmila Dobysheva
• [Wien] Error when parsing klist in parallel   wiener at arcscluster.caltech.edu
  • [Wien] Error when parsing klist in parallel   Peter Blaha
  • [Wien] Error when parsing klist in parallel   Torsten Andersen
• [Wien] DOS of Sr2RuO4   gpzhang
• [Wien] machines file ... again   Jorissen Kevin
• [Wien] Plotting charge-density distribution!!   DW Liu
  • [Wien] Plotting charge-density distribution!!   Abir De Sarkar
    • [Wien] input for X-ray spectra calculations   stargmoon
• [Wien] Fixed! - Error when parsing klist in parallel   wiener at arcscluster.caltech.edu
  • [Wien] RE: [Wien]   Hamid.Alaa
• [Wien] malfunction w2web   Ramkumar Thapa
  • [Wien] malfunction w2web   Steven Homolya
  • [Wien] malfunction w2web   buero at luitz.at
  • [Wien] malfunction w2web   buero at luitz.at
• [Wien] w2web browser malfunctions !   R.K.Thapa
• [Wien] w2web   R.K.Thapa
  • [Wien] Re: w2web   Steven Homolya
• [Wien] Re: w2web   Jorissen Kevin
• [Wien] LAPW and LMTO   Leonardo Pisani
• [Wien] [Announcement] CFP: ICCSA 2005: Technical Session on Molecular Structures and Processes   C J Kenneth Tan -- OptimaNumerics
• [Wien] mkl querry   apu at veccal.ernet.in
  • [Wien] mkl querry   Stefaan Cottenier
• [Wien] syntax error in runfsm on Sun   knizek
  • [Wien] syntax error in runfsm on Sun   L. D. Marks
  • [Wien] syntax error in runfsm on Sun   Peter Blaha
• [Wien] Large QTL values Ghost bands?   gpzhang
  • [Wien] Large QTL values Ghost bands?   Peter Blaha
• [Wien] memory managment and ifc 8.0   Ilya Elfimov
  • [Wien] memory managment and ifc 8.0   L. D. Marks
    • [Wien] memory managment and ifc 8.0   Ilya Elfimov
  • [Wien] memory managment and ifc 8.0   Peter Blaha
• [Wien] [Wien2k-announce] New Version of WIEN2k   yong_hoon_lee at komatsu.co.jp
  • [Wien] [Wien2k-announce] New Version of WIEN2k   Peter Blaha
    • [Wien] [Wien2k-announce] New Version of WIEN2k   Steven Homolya
• [Wien] mixer erro (segmentation fault and ispin)   Jack London
  • [Wien] mixer erro (segmentation fault and ispin)   Fred Nastos
    • [Wien] mixer erro (segmentation fault and ispin)   Jack London
      • [Wien] mixer erro (segmentation fault and ispin)   L. D. Marks
      • [Wien] mixer erro (segmentation fault and ispin)   Ilya Elfimov
      • [Wien] mixer erro (segmentation fault and ispin)   Jack London
• [Wien] wien in parallel   Travis Sefzik
  • [Wien] wien in parallel   Peter Blaha
  • [Wien] wien in parallel   Torsten Andersen
    • [Wien] wien in parallel   Travis Sefzik
      • [Wien] wien in parallel   Torsten Andersen
• [Wien] cannot run benchmark sample   Wu, Lijun
  • [Wien] cannot run benchmark sample   Peter Blaha
• [Wien] cannot run benchmark sample   Jorissen Kevin
• [Wien] thanks   R.K.Thapa
• [Wien] Large QTL values Ghost bands?   Jorissen Kevin
• [Wien] RE: thanks   Jorissen Kevin
• [Wien] cannot run benchmark sample   pieper at ifp.tuwien.ac.at
• [Wien] Large QTL values Ghost bands?   gpzhang
  • [Wien] a story about in1new   Stefaan Cottenier
• [Wien] lapw2 crashed   Shaorui Sun
• [Wien] the isomer shifts problem   liuzw03 at st.lzu.edu.cn
  • [Wien] the isomer shifts problem   Stefaan Cottenier
• [Wien] the isomer shifts problem   liuzw03 at st.lzu.edu.cn
  • [Wien] the isomer shifts problem   Stefaan Cottenier
• [Wien] the isomer shifts problem   liuzw03 at st.lzu.edu.cn
  • [Wien] the isomer shifts problem   Stefaan Cottenier
    • [Wien] the isomer shifts problem   Peter Blaha
  • [Wien] problem with afminput   Stefaan Cottenier
    • [Wien] problem with afminput   Antoine Villesuzanne
      • [Wien] problem with afminput   Peter Blaha
• [Wien] the isomer shifts problem   liuzw03 at st.lzu.edu.cn
• [Wien] lapw2 crashed   Jorissen Kevin
• [Wien] Lapw1 and Lapw2 problem   apu at veccal.ernet.in
  • [Wien] Lapw1 and Lapw2 problem   Stefaan Cottenier
• [Wien] Lapw1 and Lapw2 problem   apu at veccal.ernet.in
  • [Wien] Lapw1 and Lapw2 problem   Stefaan Cottenier
• [Wien] Lapw1 and Lapw2 problem   Batyrev, Iskander
• [Wien] lapw1..   R.K.Thapa
• [Wien] LDA+U method   Bahram Abedi Ravan
• [Wien] LDA+U method   Jorissen Kevin
• [Wien] Semi-core calculation   L. D. Marks
  • [Wien] Semi-core calculation   Peter Blaha
• [Wien] xcrysden   ercan uçgun
• [Wien] band offset   jrosad2
• [Wien] (no subject)   Sabine Wurmehl
  • [Wien] (no subject)   L. D. Marks
  • [Wien] (no subject)   Martin Pieper
  • [Wien] (no subject)   Torsten Andersen
• [Wien] FSM in parallel?   Michelle Johannes
  • [Wien] FSM in parallel?   Peter Blaha
• [Wien] Segmentation fault in LAPW1 on Opteron / gentoo   wiener at arcscluster.caltech.edu
  • [Wien] Segmentation fault in LAPW1 on Opteron / gentoo   Torsten Andersen
• [Wien] lapw1.error in atomic energy calculation   lin zhou
  • [Wien] lapw1.error in atomic energy calculation   Torsten Andersen
    • [Wien] lapw1.error in atomic energy calculation   lin zhou
• [Wien] lapw1.error in atomic energy calculation   lin zhou
  • [Wien] how to generate valid struct file in atomic energy calculation   lin zhou
    • [Wien] how to generate valid struct file in atomic energy calculation   Peter Blaha
      • [Wien] how to generate valid struct file in atomic energy calculation   lin zhou
• [Wien] spinpolarised calculation   Sabine Wurmehl
• [Wien] k-point and "closed shell atoms" in atomic energy calculation   lin zhou
  • [Wien] k-point and "closed shell atoms" in atomic energy calculation   Stefaan Cottenier
    • [Wien] k-point and "closed shell atoms" in atomic energy calculation   lin zhou
• [Wien] Supercell and point simmetry   francesco d'acapito
  • [Wien] Supercell and point simmetry   Peter Blaha
• [Wien] compton profile   Prof. Sushil Auluck
• [Wien] machines file and klist splitting   Fred Nastos
  • [Wien] machines file and klist splitting   Stefaan Cottenier
  • [Wien] machines file and klist splitting   Peter Blaha
    • [Wien] machines file and klist splitting   Fred Nastos
• [Wien] compiling lstart with Lahey, Fortran REWIND.   Fred Nastos
  • [Wien] compiling lstart with Lahey, Fortran REWIND.   Peter Blaha
• [Wien] phonon-workshop   Peter Blaha
• [Wien] Low cpu usage on open-mosix Linux cluster   EB Lombardi
  • [Wien] Low cpu usage on open-mosix Linux cluster   Torsten Andersen
    • [Wien] Low cpu usage on open-mosix Linux cluster   EB Lombardi
      • [Wien] Low cpu usage on open-mosix Linux cluster   Torsten Andersen
• [Wien] Equivalent Positions   Travis Sefzik
• [Wien] Problems with PORT minimization!   Timo Jacob
  • [Wien] Problems with PORT minimization!   L. D. Marks
    • [Wien] Problems with PORT minimization!   Timo Jacob
      • [Wien] Problems with PORT minimization!   L. D. Marks
      • [Wien] Problems with PORT minimization!   Timo Jacob
      • [Wien] Problems with PORT minimization!   L. D. Marks
• [Wien] Site occupancy in multi-atom cell   Shu Miao
  • [Wien] Site occupancy in multi-atom cell   Stefaan Cottenier
    • [Wien] forces and APW+lo   Leonardo Pisani
      • [Wien] forces and APW+lo   georg at chem.au.dk
    • [Wien] x-ray K emission spectrum   stargmoon
    • [Wien] Site occupancy in multi-atom cell   Shu Miao
• [Wien] Site occupancy in multi-atom cell   Jorissen Kevin
• [Wien] total DOS error message   Sergio L. Palacios Diaz
  • [Wien] total DOS error message   Peter Blaha
    • [Wien] total DOS error message   Sergio L. Palacios Diaz
      • [Wien] total DOS error message   Peter Blaha
• [Wien] forces and APW+lo   Jorissen Kevin
• [Wien] Low cpu usage on open-mosix Linux cluster   Jorissen Kevin
  • [Wien] Low cpu usage on open-mosix Linux cluster   EB Lombardi
• [Wien] total DOS error message   Jorissen Kevin
  • [Wien] total DOS error message   Sergio L. Palacios Diaz
• [Wien] Low cpu usage on open-mosix Linux cluster   Jorissen Kevin
  • [Wien] Low cpu usage on open-mosix Linux cluster   Torsten Andersen
• [Wien] total DOS error message   Jorissen Kevin
• [Wien] LSDA+U for triclinic system   Hua Wu
  • [Wien] LSDA+U for triclinic system   Peter Blaha
    • [Wien] LSDA+U for triclinic system   Hua Wu
      • [Wien] LSDA+U for triclinic system   Pavel Novak
      • [Wien] Ni-non magnetic problem with GGA   Dominik Legut
      • [Wien] Ni-non magnetic problem with GGA   Yushan Wang
      • [Wien] Ni-non magnetic problem with GGA   Andrei Postnikov
      • [Wien] LSDA+U for triclinic system   Peter Blaha
      • [Wien] LSDA+U for triclinic system   Hua Wu
• [Wien] Chemical bonding and DOS   Leonardo Pisani
• [Wien] installation/w2web/lapw problems   Holger Kleinke
  • [Wien] installation/w2web/lapw problems   Fred Nastos
    • [Wien] installation/w2web/lapw problems   Holger Kleinke
  • [Wien] installation/w2web/lapw problems   Peter Blaha
  • [Wien] installation/w2web/lapw problems   Holger Kleinke
• [Wien] installation/w2web/lapw problems; addition   Holger Kleinke
• [Wien] Which k-point method?   L. D. Marks
• [Wien] Optic gives zero values.   shokoufe khosravi
• [Wien] Re: k.list   Belkadi Amina
• [Wien] I/O buffer   Jack London
  • [Wien] I/O buffer   Jack London
  • [Wien] I/O buffer   Peter Blaha
• [Wien] nnn error in mixer   EB Lombardi
• [Wien] Rhombohedral to hexagonal problem   Shu Miao
  • [Wien] Rhombohedral to hexagonal problem   Peter Blaha
• [Wien] The crystal structure data of Co2Si   panzhijun2002
  • [Wien] The crystal structure data of Ca(NO3)2.4H2O   Bing Zhou
• [Wien] Low cpu usage on open-mosix Linux cluster   Jorissen Kevin
• [Wien] The crystal structure data of Co2Si   Jorissen Kevin
• [Wien] Prescott and Extreme Edition   L. D. Marks
  • [Wien] Prescott and Extreme Edition   Hitoshi Takamura
    • [Wien] Prescott and Extreme Edition   L. D. Marks
      • [Wien] Prescott and Extreme Edition   Fred Nastos
      • [Wien] Prescott and Extreme Edition   L. D. Marks
• [Wien] Electron density energy cut off   Leonardo Pisani
  • [Wien] Electron density energy cut off   Stefaan Cottenier
  • [Wien] Electron density energy cut off   Peter Blaha
  • [Wien] Electron density energy cut off   Pierre-Emmanuel Lippens
• [Wien] calculations of U   strutza at bgumail.bgu.ac.il
  • [Wien] calculations of U   Stefaan Cottenier
• [Wien] The crystal structure data of Co2Si   Sun Yiyang
• [Wien] Rhombohedral to hexagonal problem   liuzw03 at st.lzu.edu.cn
• [Wien] about the structure   lu wei
• [Wien] calculations of U   strutza at bgumail.bgu.ac.il
• [Wien] lapw0 in parallel   Michael Gurnett
  • [Wien] lapw0 in parallel   Stefaan Cottenier
    • [Wien] lapw0 in parallel   L. D. Marks
      • [Wien] lapw0 in parallel   Michael Gurnett
  • [Wien] lapw0 in parallel   Peter Blaha
• [Wien] XCrysden launch from w2web   L. D. Marks
• [Wien] lapw0 in parallel   Jorissen Kevin
• multi-convergent run_lapw's ;-) , or :: RE: [Wien] Problems with PORT minimization!   Jorissen Kevin
• [Wien] lapw0 in parallel   Jorissen Kevin
  • [Wien] lapw0 in parallel   Michael Gurnett
• [Wien] Two problems about DOS   Shu Miao
  • [Wien] Two problems about DOS   Shu Miao
  • [Wien] Two problems about DOS   Peter Blaha
• [Wien] WIEN2k_04.10   Shen Li Qiu
  • [Wien] WIEN2k_04.10   Peter Blaha
  • [Wien] WIEN2k_04.10   Shen Li Qiu
    • [Wien] WIEN2k_04.10   Peter Blaha
• [Wien] about the structure   Jorissen Kevin
• [Wien] LDA+U+orbital ordering   L. D. Marks
  • [Wien] LDA+U+orbital ordering   Martin Pieper
    • [Wien] LDA+U+orbital ordering   Stefaan Cottenier
• [Wien] *warning* ENE:   fabella
  • [Wien] *warning* ENE:   L. D. Marks
  • [Wien] *warning* ENE:   Stefaan Cottenier
• [Wien] mkl70cluster problems   Michael Gurnett
  • [Wien] mkl70cluster problems   Michael Gurnett
• [Wien] *warning* ENE:   ROCQUEFELTE XAVIER
• [Wien] Supercell setup   Shu Miao
  • [Wien] Supercell setup   Shu Miao
  • [Wien] Supercell setup   Steven Homolya
  • [Wien] Supercell setup   Peter Blaha
• [Wien] Supercell setup   Jorissen Kevin
• [Wien] DOS Problems and tetra using intel ifc8.1 -r8 option   fecher
• [Wien] follow up - *warning* ENE:   fabella
  • [Wien] follow up - *warning* ENE:   Stefaan Cottenier
• [Wien] spaghetti for parallel lapw1   Arai Masao
• [Wien] follow up - *warning* ENE:   Jorissen Kevin
• [Wien] spaghetti for parallel lapw1   Jorissen Kevin
  • [Wien] spaghetti for parallel lapw1   Arai Masao
• [Wien] Multiple users & w2web   L. D. Marks
  • [Wien] Multiple users & w2web   Jeff Spirko
    • [Wien] Multiple users & w2web   Jeff Spirko
      • [Wien] Multiple users & w2web   Jeff Spirko
• [Wien] where is the calculated ELNES results   Yushan Wang
  • [Wien] where is the calculated ELNES results   Torsten Andersen
• [Wien] dstart error   Hong Ma
  • [Wien] dstart error   Antoine Villesuzanne
• [Wien] Error in DOS   Alberto Rubio Ponce
• [Wien] WIEN2K_4.10- no orb option in run_lapw   pmodak at magnum.barc.ernet.in
  • [Wien] WIEN2K_4.10- no orb option in run_lapw   Hua Wu
  • [Wien] WIEN2K_4.10- no orb option in run_lapw   Peter Blaha
• [Wien] (no subject)   Shu Miao
• [Wien] Symmetry error in building type P cell   Shu Miao
  • [Wien] Symmetry error in building type P cell   Peter Blaha
    • [Wien] how to decompose the f state into m= -3, -2, -1, 0, 1,2,3.   Yushan Wang
• [Wien] sumrules   taiiebeh molarooy
• [Wien] Symmetry error in building type P cell   Shu Miao
• [Wien] Compile error   liuzw03 at st.lzu.edu.cn
  • [Wien] Compile error   fecher
  • [Wien] Compile error   L. D. Marks
• [Wien] where is the calculated ELNES results   Jorissen Kevin
• [Wien] Re: DOS Problems and tetra using intel ifc8.1 -r8 option   Kroeker Martin
  • [Wien] Re: DOS Problems and tetra using intel ifc8.1 -r8 option   Peter Blaha
• [Wien] Re: DOS Problems and tetra using intel ifc8.1 -r8 option   Kroeker Martin
• [Wien] How to add intraband contribution?   abbasali dehghan
• [Wien] Compile error   liuzw03 at st.lzu.edu.cn
• [Wien] Lapw0 error   mkhsabra at aec.org.sy

Last message date: Sun Oct 31 22:00:15 CEST 2004
Archived on: Wed Jul 6 14:14:20 CEST 2005

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