January 2006 Archives by thread

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Starting: Sun Jan 1 10:47:22 CEST 2006
Ending: Tue Jan 31 15:04:48 CEST 2006
Messages: 117

• [Wien] minimization of positions   Peter Blaha
  • [Wien] minimization of positions   Hem Chandra Kandpal
• [Wien] Question on symmetry   Peter Blaha
• [Wien] Optimize and Geometry minimization   Peter Blaha
• [Wien] SPIN POLARIZATION ENERGY   Peter Blaha
• [Wien] Mixer error   =?euc-kr?B?vue5zsij?=
• [Wien] Optimize and Geometry minimization   yxl at email.jlu.edu.cn
  • [Wien] Optimize and Geometry minimization   Peter Blaha
    • [WIEN]How to specify the spin state in 1s orbital   Liu Xin
• [Wien] optimization/minimization   yxl at email.jlu.edu.cn
  • [Wien] optimization/minimization   Jeff Spirko
• AW: [Wien] Compiling Wien2k for beginners   Gerhard Fecher
• AW: [Wien] Compiling Wien2k for beginners   Gerhard Fecher
• [Wien] Antiferromagnetic calculation & EFG !!   reza osaty
  • [Wien] Antiferromagnetic calculation & EFG !!   Stefaan Cottenier
    • [Wien] Antiferromagnetic calculation & EFG !!   reza osaty
• No subject  
• No subject  
• No subject  
• [Wien] 64-bit compile   Chiung-Yuan Lin
  • [Wien] 64-bit compile   Jeff Spirko
• [Wien] optimization/minimization   yxl at email.jlu.edu.cn
  • [Wien] optimization/minimization   Jeff Spirko
• [Wien] Partial Occupancy problem   Siew Wei Goh
  • [Wien] Re: Partial Occupancy problem   Peter Blaha
    • [Wien] RE: Partial Occupancy problem   Siew Wei Goh
• [Wien] Antiferro calculation   reza osaty
  • [Wien] Antiferro calculation   Antoine Villesuzanne
  • [Wien] Antiferro calculation   Peter Blaha
• [Wien] (no subject)   Siew Wei Goh
• [Wien] Cohesive energies in WIEN2k   John Appleton
  • [Wien] Cohesive energies in WIEN2k   Stefaan Cottenier
    • [Wien] Cohesive energies in WIEN2k   Peter Blaha
      • [Wien] Cohesive energies in WIEN2k   Andrzej Koleżyński
• [Wien] Help for the software BoltzTrap!   Pan Zhijun
• [Wien] false convergence in structure optimization   Jian ZHOU
  • [Wien] false convergence in structure optimization   L. D. Marks
    • [Wien] false convergence in structure optimization   Jian ZHOU
      • [Wien] false convergence in structure optimization   L. D. Marks
      • [Wien] false convergence in structure optimization   Jian ZHOU
      • [Wien] false convergence in structure optimization   L. D. Marks
• [Wien] using eplot   Fabian Seifert
  • [Wien] using eplot   Peter Blaha
• [Wien] Can I get some example for crystal defect?   =?euc-kr?B?vue5zsij?=
• [Wien] Cohesive energies warnings   John Appleton
• [Wien] testerror: Error in Parallel LAPW2   Jian ZHOU
  • [Wien] testerror: Error in Parallel LAPW2   reza osaty
    • [Wien] testerror: Error in Parallel LAPW2   L. D. Marks
      • [Wien] testerror: Error in Parallel LAPW2   Jian ZHOU
• [Wien] How to plot the contour diagram of electron density using origin6.1?   Pan Zhijun
• [Wien] About slab and SO   Niu Sampson
  • [Wien] About slab and SO   Peter Blaha
• [Wien] Professor Blaha, why can I not post e-mail in the mailing list?   Pan Zhijun
  • [Wien] Professor Blaha, why can I not post e-mail in the mailing list?   Peter Blaha
    • [Wien] Professor Blaha, why can I not post e-mail in the mailing list?   Pan Zhijun
• [Wien] How to plot the contour diagram of electron density using origin6.1?   Pan Zhijun
  • [Wien] How to plot the contour diagram of electron density using origin6.1?   Peter Blaha
    • [Wien] How to plot the contour diagram of electron density usingorigin6.1?   yan song
  • [Wien] How to plot the contour diagram of electron density using origin6.1?   Semen Gorfman
    • [Wien] How to plot the contour diagram of electron density using origin6.1?   Pan Zhijun
      • [Wien] How to plot the contour diagram of electron density using origin6.1?   Semen Gorfman
      • [Wien] How to plot the contour diagram of electron density using origin6.1?   Pan Zhijun
• [wien]lapw0 error   Xin, Liu
• [wien]lapw0 error   Xin, Liu
• [Wien] Energies of isolated molecules   John Appleton
  • [Wien] Energies of isolated molecules   y.song at qmul.ac.uk
• [Wien] What do the last two data of the first line of file case.rho mean?   Pan Zhijun
  • [Wien] What do the last two data of the first line of file case.rho mean?   Peter Blaha
• [Wien] What do the last two data of the first line of file case.rho mean?   Pan Zhijun
• [Wien] I'm sorry.The same contents have been sent twice.   Z.J.
• [Wien] papers   Peter Blaha
• [Wien] Highly confusing bug -- any ideas?   L. D. Marks
  • [Wien] Highly confusing bug -- any ideas? (LD_ASSUME_KERNEL)   L. D. Marks
    • [Wien] Highly confusing bug -- any ideas? (LD_ASSUME_KERNEL)   georg at chem.au.dk
      • [Wien] Highly confusing bug -- any ideas? (LD_ASSUME_KERNEL)   L. D. Marks
• [Wien] Problem when calculating Bandstructure with LDA+U and SOC   Asta-Storebo.Villanger at ffi.no
  • [Wien] Problem when calculating Bandstructure with LDA+U and SOC   georg at chem.au.dk
• [Wien] [SPAM?] w2web: command not found   Jun-Wei Luo
• SV: [Wien] Problem when calculating Bandstructure with LDA+U and SOC   Asta-Storebo.Villanger at ffi.no
  • [Wien] [SPAM?] SIC-LDA in Wien2k   whoming
• [Wien] lapw7 with APW+lo?   Peter.Puschnig at mu-leoben.at
  • [Wien] IPO Error: unresolved : cputim_   Nandan Tandon
    • AW: [Wien] IPO Error: unresolved : cputim_   Gerhard Fecher
      • AW: [Wien] IPO Error: unresolved : cputim_   Nandan Tandon
• [Wien] scf error   =?euc-kr?B?vue5zsij?=
  • [Wien] scf error   Peter Blaha
• [Wien] Errors in LAPW2 for HfN calculation   Mcgilvery, Catriona M
  • [Wien] Errors in LAPW2 for HfN calculation   Peter Blaha
• [Wien] Supercells and molecules   John Appleton
• [Wien] Errors in LAPW2 for HfN calculation   Mcgilvery, Catriona M
  • [Wien] Errors in LAPW2 for HfN calculation   Peter Blaha
• [Wien] Segmentation fault in xcpot3, running lapw0 (ifc8.1, AMDopteron,   Alessandro Mirone
  • AW: [Wien] Segmentation fault in xcpot3, running lapw0 (ifc8.1, AMDopteron,   Gerhard Fecher
• AW: [Wien] Segmentation fault in xcpot3, running lapw0 (ifc8.1,   Alessandro Mirone
  • AW: [Wien] Segmentation fault in xcpot3, running lapw0 (ifc8.1,   Peter Blaha
  • AW: [Wien] Segmentation fault in xcpot3, running lapw0 (ifc8.1,   L. D. Marks
    • [Wien] Anisotropy of Co   Sherif Yehia
      • [Wien] Anisotropy of Co   Pavel Novak
      • [Wien] Anisotropy of Co   Sherif Yehia
• AW: [Wien] Segmentation fault in xcpot3, running lapw0 (ifc8.1,   Martin Kroeker
• AW: [Wien] Segmentation fault in xcpot3, running lapw0 (ifc8.1,   Alessandro Mirone
• [Wien] Announcement: Symposium on Theoretical Chemistry 2006   Sekr. Prof. Joachim Sauer
• [Wien] QTL and Tetra Error !!!   reza osaty
• [Wien] [SPAM?] scf cycle   zoulikha charifi
• [Wien] problem with run phonon for 222 cell   Chandrika
  • [Wien] problem with run phonon for 222 cell   Peter Blaha
• [Wien] scf cycle   zoulikha charifi
  • [Wien] scf cycle   Lyudmila Dobysheva
  • [Wien] scf cycle   Lyudmila Dobysheva
    • [Wien] Using in1new option   Nandan Tandon
      • [Wien] Using in1new option   Stefaan Cottenier
      • [Wien] Using in1new option   Nandan Tandon
      • [Wien] Using in1new option   Stefaan Cottenier
      • [Wien] Using in1new option   Nandan Tandon
• [Wien] interstitial electrons are too many!   =?iso-2022-jp?B?GyRCMiZaXxsoQg==?=
  • [Wien] interstitial electrons are too many!   Peter Blaha
• [Wien] freezing of shells, and DOS   Alessandro Mirone

Last message date: Tue Jan 31 15:04:48 CEST 2006
Archived on: Tue Feb 21 10:43:18 CEST 2006

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