September 2005 Archives by thread

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Starting: Thu Sep 1 09:30:26 CEST 2005
Ending: Fri Sep 30 19:23:25 CEST 2005
Messages: 139

• [Wien] About antiferromagnetism calculation   Antoine Villesuzanne
  • [Wien] About antiferromagnetism calculation   Peter Blaha
    • [Wien] About antiferromagnetism calculation   Eric Sun
      • [Wien] About antiferromagnetism calculation   Stefaan Cottenier
      • [Wien] QTL-B value   Tulika Maitra
      • [Wien] QTL-B value   Stefaan Cottenier
      • [Wien] QTL-B value   Tulika Maitra
      • [Wien] QTL-B value   Stefaan Cottenier
• [Wien] How to use wein for dna   M.Sairam Swaroop
  • [Wien] How to use wein for dna   Peter Blaha
• [Wien] OPTIC error   M.Sairam Swaroop
• [Wien] SIGSEGV, segmentation fault occurred   EB Lombardi
• [Wien] Too large orbital polarization with orbital polarization potential Vop And Total energy of easy axis and hard axis is reversed !!   yasuharu_shiraishi at fujifilm.co.jp
  • [Wien] Too large orbital polarization with orbital polarization potential Vop And Total energy of easy axis and hard axis is reversed !!   Gerhard H Fecher
• [Wien] dstart_error   Bohdan Andriyevsky
• [Wien] Classical example on chemical reaction path to demonstrate the practical power of ab initio calculation?   Tianjiao Zhang
• [Wien] Too large orbital polarization with orbital polarization potential Vop And Total energy of easy axis and hard axis is reversed !!   yasuharu_shiraishi at fujifilm.co.jp
• [Wien] Intel EMT64 OT   Michael Gurnett
  • [Wien] Intel EMT64 OT   Peter Blaha
    • [Wien] Intel EMT64 OT   Stefaan Cottenier
      • [Wien] Intel EMT64 OT   Gerhard H Fecher
• [Wien] partial charges of dz2-y2 and dx2 orbitals   vahid ghanbarian
  • [Wien] total energies of different spin states with LDA+U   Victor Pardo Castro
    • [Wien] total energies of different spin states with LDA+U   Stefaan Cottenier
      • [Wien] total energies of different spin states with LDA+U   Peter Blaha
  • [Wien] partial charges of dz2-y2 and dx2 orbitals   Peter Blaha
• [Wien] Intel EMT64 OT   Atwood, Robert C
• [Wien] Parallel compilation   Eguiberto Galego
  • [Wien] Parallel compilation   reza osaty
  • [Wien] Parallel compilation   Peter Blaha
• [Wien] w2web problem   Shen Li Qiu
• [Wien] Open postdoc position (fwd)   Peter Blaha
• [Wien] Problems about super cell and simple cell   Alan
  • [Wien] Problems about super cell and simple cell   Peter Blaha
• [Wien] spacegroup p31m   Michael Gurnett
  • [Wien] spacegroup p31m   Stefaan Cottenier
    • [Wien] spacegroup p31m   Michael Gurnett
      • [Wien] spacegroup p31m   Peter Blaha
      • [Wien] spacegroup p31m   Michael Gurnett
      • [Wien] spacegroup p31m   Stefaan Cottenier
      • [Wien] spacegroup p31m   Michael Gurnett
      • [Wien] spacegroup p31m   Stefaan Cottenier
• [Wien] Error in Vorb for f-orbitals   Angelica
  • [Wien] Error in Vorb for f-orbitals   Peter Blaha
• [Wien] partial charges of dz2-y2 and dx2 orbitals   vahid ghanbarian
  • [Wien] partial charges of dz2-y2 and dx2 orbitals   Peter Blaha
• [Wien] LDA+U question   liuzw03 at st.lzu.edu.cn
  • [Wien] LDA+U question   Victor Pardo Castro
• [Wien] error encountered in TELNES.2   Emrah Yucelen
• [Wien] total energy   Chandrika
• [Wien] total energy   Souraya GOUMRI-SAID
• [Wien] error lapw1   farzad ahmadian
• [Wien] error lapw1   Souraya GOUMRI-SAID
• [Wien] wien2k   haoxianfeng
  • [Wien] wien2k   Peter Blaha
• [Wien] HfN calculation stoped after few cycles   Darek Chrobak
• [Wien] complex calculation   Leonardo Pisani
  • [Wien] complex calculation   Hua Wu
• [Wien] HfN calculation stoped after few cycles   Darek Chrobak
  • [Wien] HfN calculation stoped after few cycles   Peter Blaha
    • [Wien] HfN calculation stoped after few cycles   Darek Chrobak
• [Wien] wien2k compilation   zyzhang
• [Wien] Post Doc position for ab initio calculations   Samaras Maria
• [Wien] hyperfine interaction-population number-partial charges sphere-anisotropy function   arash fathi
• [Wien] Struct file   shahnaz sehati
  • [Wien] Struct file   Rashid ahmed
  • [Wien] Struct file   farzad ahmadian
• [Wien] Post Doc position for ab initio calculations   Samaras Maria
• [Wien] 'SECLR4' - POTRF failed   Moon, Chang-Youn
  • [Wien] 'SECLR4' - POTRF failed   Michael Gurnett
• [Wien] 'SECLR4' - POTRF failed   Moon, Chang-Youn
  • [Wien] 'SECLR4' - POTRF failed   Michael Gurnett
  • [Wien] 'SECLR4' - POTRF failed   Peter Blaha
• [Wien] 'SECLR4' - POTRF failed   Moon, Chang-Youn
  • [Wien] 'SECLR4' - POTRF failed   Michael Gurnett
• [Wien] local rotation matrix   Hua Wu
  • [Wien] local rotation matrix   georg at chem.au.dk
  • [Wien] local rotation matrix   Peter Blaha
    • [Wien] local rotation matrix   Hua Wu
      • [Wien] local rotation matrix   Peter Blaha
      • [Wien] local rotation matrix   Hua Wu
      • [Wien] compiling with pathscale plus acml2.6.0 library   stargmoon
      • [Wien] SO calculations in hexagonal systems   thomas.mazet
      • [Wien] SO calculations in hexagonal systems   Peter Blaha
      • [Wien] Qaudrupolar moment of 119Sn nucleus   thomas.mazet
• [Wien] Struct file   Souraya GOUMRI-SAID
• [Wien] error in TELNES.2 plus details   Emrah Yucelen
• [Wien] 'SECLR4' - POTRF failed   Moon, Chang-Youn
  • [Wien] 'SECLR4' - POTRF failed   Michael Gurnett
• [Wien] 'SECLR4' - POTRF failed   Moon, Chang-Youn
• [Wien] Ladder GGA   Michael Gurnett
  • [Wien] Ladder GGA   Peter Blaha
• [Wien] Compilation error   A Sen
• AW: [Wien] Compilation error   Gerhard Fecher
• AW: [Wien] error encountered in TELNES.2   Jorissen Kevin
• [Wien] wien2phon package   Dr. Sharat Chandra
  • [Wien] wien2phon package   georg at chem.au.dk
    • [Wien] wien2phon package   Dr. Sharat Chandra
• [Wien] newbie on the list and AMDOpteron64   Florent Calvayrac
  • [Wien] newbie on the list and AMDOpteron64   Peter Blaha
    • [Wien] newbie on the list and AMDOpteron64   Florent Calvayrac
      • [Wien] newbie on the list and AMDOpteron64   Peter Blaha
• [Wien] RMT   shahnaz sehati
• [Wien] Slater's TS calculation   Damian Moran
  • [Wien] Slater's TS calculation   Michael Gurnett
  • [Wien] Slater's TS calculation   Michael Gurnett
• [Wien] total energy value too high   Chandrika
  • [Wien] total energy value too high   Stefaan Cottenier
  • [Wien] total energy value too high   Paula R. Alonso
    • [Wien] total energy value too high   Chandrika
      • [Wien] total energy value too high   Paula R. Alonso
• [Wien] about PostDoc Openings   Su, Haibin (Asst Prof)
• [Wien] The energy to separate semicore and valencestates   zhgh at theory.issp.ac.cn
  • [Wien] The energy to separate semicore and valencestates   thomas.mazet
• [Wien] Asking for set up case.inst   Khuong P. Ong
  • [Wien] Asking for set up case.inst   Peter Blaha
    • [Wien] Asking for set up case.inst   Khuong P. Ong
  • [Wien] parallel calculation   Yousong Gu (???)
    • [Wien] parallel calculation   Peter Blaha
• [Wien] Friedel oscillations   Michael Gurnett
  • [Wien] Electric dipolar moment   Victor Pardo Castro
    • [Wien] Electric dipolar moment   Fred Nastos
  • [Wien] Friedel oscillations   Peter Blaha
    • [Wien] Friedel oscillations   Michael Gurnett
• [Wien] Calulating optical property with spin-orbit coupling   Moon, Chang-Youn
• [Wien] Calulating optical property with spin-orbit coupling   Moon, Chang-Youn
  • [Wien] Calulating optical property with spin-orbit coupling   Peter Blaha
• [Wien] parallel calculation   Jorissen Kevin
• [Wien] Parallelize Spin Up and Down   Chiung-Yuan Lin
  • [Wien] Parallelize Spin Up and Down   Peter Blaha
    • [Wien] Parallelize Spin Up and Down   L. D. Marks
• [Wien] symmetry problems   Andrea Salguero
  • [Wien] symmetry problems   Peter Blaha
    • [Wien] thank you   Andrea Salguero
• [Wien] Also a symmetry problem   Franco Jona
  • [Wien] Also a symmetry problem   Peter Blaha
• [Wien] Electric dipolar moment   Raymond Tung
  • [Wien] Electric dipolar moment   Fred Nastos
    • [Wien] Electric dipolar moment   Victor Pardo Castro

Last message date: Fri Sep 30 19:23:25 CEST 2005
Archived on: Fri Sep 30 19:24:23 CEST 2005

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