March 2012 Archives by thread

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Starting: Thu Mar 1 08:19:04 CET 2012
Ending: Fri Mar 30 17:27:02 CEST 2012
Messages: 208

• [Wien] question on how to rotate the axis in qtl propram   王静
  • [Wien] question on how to rotate the axis in qtl propram   Peter Blaha
• [Wien] exciton trapping   Fabiana Da Pieve
  • [Wien] exciton trapping   Laurence Marks
    • [Wien] exciton trapping   Fabiana Da Pieve
• [Wien] B_lat hyperfine field NMR   David Tompsett
  • [Wien] B_lat hyperfine field NMR   Stefaan Cottenier
• [Wien] Some confirmation regarding SO calculation   Vinayak Mishra
• [Wien] Lapw1   Laurence Marks
  • [Wien] how to choose the plane for plotting Electron Density without XCRYSDEN   Zhou Bing
    • [Wien] how to choose the plane for plotting Electron Density without XCRYSDEN   Rocquefelte
      • [Wien] how to choose the plane for plotting Electron Density without XCRYSDEN   Zhou Bing
  • [Wien] the parameter of denominator in the file of case.in5   Zhou Bing
    • [Wien] the parameter of denominator in the file of case.in5   Rocquefelte
      • [Wien] the parameter of denominator in the file of case.in5   Zhou Bing
      • [Wien] the parameter of denominator in the file of case.in5   Rocquefelte
      • [Wien] the parameter of denominator in the file of case.in5   Zhou Bing
• [Wien] The band structure of CuAlO2- SG 166   Osama Yassin
  • [Wien] The band structure of CuAlO2- SG 166   Peter Blaha
    • [Wien] The band structure of CuAlO2- SG 166   Osama Yassin
• [Wien] LAPW2C stop   Zahia Aboub
  • [Wien] LAPW2C stop   Laurence Marks
    • [Wien] LAPW2C stop   Laurence Marks
  • [Wien] LAPW2C stop   Lyudmila Dobysheva
    • [Wien] LAPW2C stop   Lyudmila Dobysheva
• [Wien] LAPW2C stop   Antônio Vanbderlei dos Santos
• [Wien] w2web   Sohail Ahmad
  • [Wien] w2web   Gavin Abo
• [Wien] LDA+U   علاء عبد الحميد
  • [Wien] LDA+U   Rocquefelte
• [Wien] Invitation to connect on LinkedIn   Kiseok Chang via LinkedIn
• [Wien] chemical bonding   Yundi Quan
  • [Wien] chemical bonding   Laurence Marks
    • [Wien] chemical bonding   Yundi Quan
      • [Wien] chemical bonding   Laurence Marks
      • [Wien] chemical bonding   Rocquefelte
      • [Wien] chemical bonding   Yundi Quan
      • [Wien] chemical bonding   Rocquefelte
• [Wien] Reg: k-point parallel submission of script to the HPC   shwetha gummula
  • [Wien] Reg: k-point parallel submission of script to the HPC   pascal boulet
    • [Wien] Reg: k-point parallel submission of script to the HPC   shwetha gummula
      • [Wien] Reg: k-point parallel submission of script to the HPC   shwetha gummula
      • [Wien] Reg: k-point parallel submission of script to the HPC   Peter Blaha
      • [Wien] Reg: k-point parallel submission of script to the HPC   shwetha gummula
      • [Wien] Reg: k-point parallel submission of script to the HPC   Gavin Abo
      • [Wien] Reg: k-point parallel submission of script to the HPC   Eamon McDermott
      • [Wien] Reg: k-point parallel submission of script to the HPC   shwetha gummula
• [Wien] Boltztrap   ali ghafari
• [Wien] Unable to run spin-orbit calculation for non-spin cases   Madhav Ghimire
• [Wien] dstart   ben amara imen
  • [Wien] dstart   Laurence Marks
• [Wien] lstart   ben amara imen
  • [Wien] lstart   Rocquefelte
• [Wien] spin density   kangbugy at lycos.co.kr
  • [Wien] spin density   Rocquefelte
• [Wien] Core separation energy & RMT, please let us know the values   泉　康雄
  • [Wien] Core separation energy & RMT, please let us know the values   Rocquefelte
  • [Wien] Core separation energy & RMT, please let us know the values   Stefaan Cottenier
    • [Wien] Core separation energy & RMT, please let us know the values   泉　康雄
      • [Wien] Core separation energy & RMT, please let us know the values   Rocquefelte
• [Wien] converting *.struct format to another format   mohaddeseh abbasnejad
  • [Wien] converting *.struct format to another format   Parker, David S.
    • [Wien] converting *.struct format to another format   mohaddeseh abbasnejad
• [Wien] gmin   Yundi Quan
• [Wien] A question regarding magnetic/spin calculation in Wien2k please   Qiwen YAO
  • [Wien] A question regarding magnetic/spin calculation in Wien2k please   Rocquefelte
    • [Wien] A question regarding magnetic/spin calculation in Wien2k please   Laurence Marks
      • [Wien] A question regarding magnetic/spin calculation in Wien2k please   Fecher, Gerhard
• [Wien] A question regarding magnetic/spin calculation in Wien2k please   Qiwen YAO
• [Wien] LAPW2C stop   Zahia Aboub
  • [Wien] LAPW2C stop   Laurence Marks
• [Wien] LAPW2C stop   Zahia Aboub
• [Wien] (no subject)   Zahia Aboub
• [Wien] LAPW2C stop   Zahia Aboub
  • [Wien] LAPW2C stop   Laurence Marks
• [Wien] external potential inside the muffin-tin sphere   Yundi Quan
  • [Wien] external potential inside the muffin-tin sphere   Nazma Ikram
    • [Wien] external potential inside the muffin-tin sphere   Laurence Marks
      • [Wien] external potential inside the muffin-tin sphere   Yundi Quan
      • [Wien] external potential inside the muffin-tin sphere   Rocquefelte
      • [Wien] external potential inside the muffin-tin sphere   Yundi Quan
      • [Wien] external potential inside the muffin-tin sphere   Rocquefelte
• [Wien] (no subject)   Zahia Aboub
• [Wien] LAPW2C stop   Zahia Aboub
  • [Wien] LAPW2C stop   Laurence Marks
• [Wien] Help on Fermi Surface Plotting   Alex Animalu
• [Wien] Help of Fermi Surface   Alex Animalu
  • [Wien] Help of Fermi Surface   Gregory Pomrehn
  • [Wien] Help of Fermi Surface   Peter Blaha
• [Wien] error in spin-orbit coupling   Madhav Ghimire
  • [Wien] error in spin-orbit coupling   Peter Blaha
  • [Wien] error in spin-orbit coupling   Peter Blaha
    • [Wien] error in spin-orbit coupling   Madhav Ghimire
      • [Wien] XCRYSDEN   Zhou Bing
• [Wien] minor error in lapwso Wien2k_11.1   김 규
  • [Wien] minor error in lapwso Wien2k_11.1   Peter Blaha
• [Wien] Telnes3 compilation   aeljarrat at el.ub.edu
  • [Wien] Telnes3 compilation   Peter Blaha
• [Wien] [SPAM?] unit in output spectra of TELNES3   ZhenChen
• [Wien] the effec of the volume optimization on the magnetic configuration   sufyan
  • [Wien] the effec of the volume optimization on the magnetic configuration   Fecher, Gerhard
• [Wien] Telnes3 compilation   aeljarrat at el.ub.edu
• [Wien] TELNES3 with spin   Che Seabourne
  • [Wien] TELNES3 with spin   Peter Blaha
• [Wien] (no subject)   Saba Sabeti
• [Wien] "stop core end" Kindly help .Not able to find optical property   Masood Yousaf
• [Wien] help required   arqum hashmi
  • [Wien] help required   Laurence Marks
    • [Wien] help required   arqum hashmi
• [Wien] error in lapw1   Swetarekha Ram
• [Wien] help required   arqum hashmi
  • [Wien] help required   Peter Blaha
• [Wien] Fermi surface by XCrySDen   علاء عبد الحميد
• [Wien] Fermi surface by using, XCrySDen   علاء عبد الحميد
  • [Wien] Fermi surface by using, XCrySDen   Gavin Abo
• [Wien] EF not accurate   Zahia Aboub
  • [Wien] إعادة توجيه: EF not accurate   Zahia Aboub
    • [Wien] إعادة توجيه: EF not accurate   Zahia Aboub
      • [Wien] إعادة توجيه: EF not accurate   Laurence Marks
      • [Wien] EF not accurate   Lyudmila Dobysheva
• [Wien] (no subject)   Zahia Aboub
• [Wien] STOP CORE END   Masood Yousaf
  • [Wien] STOP CORE END   Stefaan Cottenier
• [Wien] Lapwso crashed when running the program in parallel mode   Madhav Ghimire
  • [Wien] Lapwso crashed when running the program in parallel mode   Peter Blaha
• [Wien] Emax in "case.in1" within spin-orbit coupling calculations   hyunjung kim
• [Wien] another criteria for the option 6 of the optimization   sufyan
• [Wien] Emax in case.in1 within spin-orbit coupling calculations   hyunjung kim
  • [Wien] Emax in case.in1 within spin-orbit coupling calculations   Stefaan Cottenier
• [Wien] Question on spin-orbit coupling calculation   hyunjung kim
• [Wien] help required   arqum hashmi
  • [Wien] help required   Stefaan Cottenier
    • [Wien] help required   arqum hashmi
      • [Wien] help required   Stefaan Cottenier
      • [Wien] help required   arqum hashmi
• [Wien] SCF 1st cycle keeps on running at LAPW2 and doesn't go further   Masood Yousaf
  • [Wien] SCF 1st cycle keeps on running at LAPW2 and doesn't go further   Laurence Marks
    • [Wien] SCF 1st cycle keeps on running at LAPW2 and doesn't go further   Laurence Marks
  • [Wien] SCF 1st cycle keeps on running at LAPW2 and doesn't go further   Laurence Marks
• [Wien] Charge analysis   bruce.tian
  • [Wien] Charge analysis   Laurence Marks
• [Wien] question about the option 6 of the optimization   sufyan
  • [Wien] WIENNCM + spin-orbit   Lyudmila Dobysheva
    • [Wien] WIENNCM + spin-orbit   Robert Laskowski
    • [Wien] WIENNCM + spin-orbit   Peter Blaha
      • [Wien] WIENNCM + spin-orbit   Lyudmila Dobysheva
• [Wien] query about OPTION 6 in volume optimization in which we can vary a, b and c (3D case)   shamik chakrabarti
  • [Wien] query about OPTION 6 in volume optimization in which we can vary a, b and c (3D case)   Laurence Marks
    • [Wien] query about OPTION 6 in volume optimization in which we can vary a, b and c (3D case)   shamik chakrabarti
  • [Wien] query about OPTION 6 in volume optimization in which we can vary a, b and c (3D case)   Peter Blaha
    • [Wien] query about OPTION 6 in volume optimization in which we can vary a, b and c (3D case)   shamik chakrabarti
• [Wien] help required   arqum hashmi
  • [Wien] help required   Stefaan Cottenier
• [Wien] plz help required   arqum hashmi
  • [Wien] plz help required   Laurence Marks
    • [Wien] plz help required   arqum hashmi
• [Wien] Questions on the quantitative understanding of DOS and partial DOS   J. K. Balamurugan
  • [Wien] Questions on the quantitative understanding of DOS and partial DOS   Lee, Yongbin [A LAB]
  • [Wien] Questions on the quantitative understanding of DOS and partial DOS   David Tompsett
    • [Wien] Questions on the quantitative understanding of DOS and partial DOS   J. K. Balamurugan
  • [Wien] 'Plane waves exhasted' error   Hiroshi Nakano
    • [Wien] 'Plane waves exhasted' error   M. Koshino
      • [Wien] 'Plane waves exhasted' error   Fecher, Gerhard
      • [Wien] 'Plane waves exhasted' error   Laurence Marks
• [Wien] SCF Run problem   Jagdish Nehra
  • [Wien] SCF Run problem   Gavin Abo
    • [Wien] the orientation between EFG tensor and crystal frame directions   Zhou Bing
      • [Wien] the orientation between EFG tensor and crystal frame directions   Peter Blaha
      • [Wien] the orientation between EFG tensor and crystal frame directions   Zhou Bing
      • [Wien] sp2, sp3 hybridization and Pz, Px, Py   Zhou Bing
• [Wien] 3D spin density   kangbugy at lycos.co.kr
  • [Wien] 3D spin density   Peter Blaha
• [Wien] SPIN ORBIT COUPLING and Band structure picture   Madhav Ghimire
  • [Wien] SPIN ORBIT COUPLING and Band structure picture   Peter Blaha
• [Wien] compilation problem for the installation of wien2k   Laurence Marks
• [Wien] LAPW2   علاء عبد الحميد
• [Wien] DSTART   Antônio Vanbderlei dos Santos
• [Wien] Error in LAPW1   Antônio Vanbderlei dos Santos
  • [Wien] Error in LAPW1   Laurence Marks
    • [Wien] Error in LAPW1   Stefaan Cottenier
      • [Wien] Error in LAPW1   Antônio Vanbderlei dos Santos
• [Wien] LDA+U error   Nishaina Sahadev
• [Wien] Vec2old_LAPW   ahmad gharleghi
  • [Wien] Vec2old_LAPW   Laurence Marks
    • [Wien] Vec2old_LAPW   ahmad gharleghi
      • [Wien] Vec2old_LAPW   Laurence Marks
• [Wien] plz help required   arqum hashmi
  • [Wien] plz help required   arqum hashmi
    • [Wien] plz help required   Laurence Marks
      • [Wien] plz help required   arqum hashmi
      • [Wien] plz help required   arqum hashmi
      • [Wien] plz help required   Laurence Marks
      • [Wien] plz help required   arqum hashmi
      • [Wien] plz help required   Laurence Marks
• [Wien] help required   MOWAFAQ MOHAMMAD KETHYAN AL-SARDIA
  • [Wien] help required   Laurence Marks
  • [Wien] help required   Stefaan Cottenier
• [Wien] SCF run problem   Jagdish Nehra
  • [Wien] SCF run problem   Laurence Marks
    • [Wien] SCF run problem   Laurence Marks
• [Wien] plz help required   MOWAFAQ MOHAMMAD KETHYAN AL-SARDIA
• [Wien] lsart   ben amara imen
  • [Wien] lsart   Stefaan Cottenier
    • [Wien] how to obtain the result of (px+py)/2-pz   Zhou Bing
• [Wien] Invitation to connect on LinkedIn   jaafar jalilian via LinkedIn
• [Wien] bandstructure error( with spin-orbit interaction )   Ｌ
  • [Wien] bandstructure error( with spin-orbit interaction )   Peter Blaha
• [Wien] [SPAM?] problem to compile   luca sementa

Last message date: Fri Mar 30 17:27:02 CEST 2012
Archived on: Fri Mar 30 17:27:30 CEST 2012

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