September 2011 Archives by thread

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Starting: Thu Sep 1 01:13:09 CEST 2011
Ending: Fri Sep 30 23:49:40 CEST 2011
Messages: 194

• [Wien] "x optic -p" error   Rodrigo Domínguez García
  • [Wien] Fwd: "x optic -p" error   Rodrigo Domínguez García
• [Wien] "x optic -p" error   Tomohiko Tasaka
• [Wien] calculate ionic charge   puday at iitk.ac.in
  • [Wien] calculate ionic charge   Peter Blaha
• [Wien] phonon calculation   Yundi Quan
  • [Wien] phonon calculation   Laurence Marks
    • [Wien] phonon calculation   Yundi Quan
      • [Wien] phonon calculation   Ghosh SUDDHASATTWA
• [Wien] Fwd: Re: 'l2main' - QTL-B.GT.15., Ghostbands, check scf files   Jinjan Ren
  • [Wien] Fwd: Re: 'l2main' - QTL-B.GT.15., Ghostbands, check scf files   Peter Blaha
    • [Wien] Fwd: Re: 'l2main' - QTL-B.GT.15., Ghostbands, check scf files   Jinjan Ren
    • [Wien] Fwd: Re: 'l2main' - QTL-B.GT.15., Ghostbands, check scf files   Jinjan Ren
      • [Wien] Fwd: Re: 'l2main' - QTL-B.GT.15., Ghostbands, check scf files   Peter Blaha
• [Wien] Reg:band structure with spin orbit coupling   bobli rekharam
  • [Wien] Reg:band structure with spin orbit coupling   Peter Blaha
    • [Wien] EFERMI OUT OF ENERGY RANGE   Jinjan Ren
      • [Wien] EFERMI OUT OF ENERGY RANGE   Gerhard Fecher
      • [Wien] EFERMI OUT OF ENERGY RANGE   Jinjan Ren
      • [Wien] EFERMI OUT OF ENERGY RANGE   Peter Blaha
      • [Wien] EFERMI OUT OF ENERGY RANGE   Laurence Marks
      • [Wien] EFERMI OUT OF ENERGY RANGE   Jinjan Ren
      • [Wien] EFERMI OUT OF ENERGY RANGE   Laurence Marks
      • [Wien] EFERMI OUT OF ENERGY RANGE   Jinjan Ren
      • [Wien] EFERMI OUT OF ENERGY RANGE   Laurence Marks
      • [Wien] EFERMI OUT OF ENERGY RANGE   Jinjan Ren
      • [Wien] EFERMI OUT OF ENERGY RANGE   Laurence Marks
      • [Wien] EFERMI OUT OF ENERGY RANGE   Laurence Marks
      • [Wien] EFERMI OUT OF ENERGY RANGE   Jinjan Ren
      • [Wien] EFERMI OUT OF ENERGY RANGE   Jinjan Ren
      • [Wien] EFERMI OUT OF ENERGY RANGE   Jinjan Ren
      • [Wien] EFERMI OUT OF ENERGY RANGE   Laurence Marks
• [Wien] [SPAM?] Some questions about SPIxxx   butz1004
  • [Wien] Some questions about SPIxxx   tran at theochem.tuwien.ac.at
• [Wien] Supercell calculation is not converging   shamik chakrabarti
  • [Wien] Supercell calculation is not converging   Laurence Marks
    • [Wien] Supercell calculation is not converging   shamik chakrabarti
      • [Wien] FS of a slab   Artamonov Oleg
      • [Wien] FS of a slab   Peter Blaha
      • [Wien] FS of a slab   Artamonov Oleg
      • [Wien] Supercell calculation is not converging   Laurence Marks
      • [Wien] Supercell calculation is not converging   shamik chakrabarti
• [Wien] error in lapw1   AJAY SINGH VERMA
  • [Wien] FW: error in lapw1   AJAY SINGH VERMA
• [Wien] thebest rkmax   bs bs
• [Wien] thebest rkmax   Stefaan Cottenier
• [Wien] how I can overcome this warning   Aboudi Hamouda
  • [Wien] how I can overcome this warning   Peter Blaha
• [Wien] array FJ lower bound error with ifort 12   Gavin Abo
  • [Wien] array FJ lower bound error with ifort 12   Peter Blaha
    • [Wien] array FJ lower bound error with ifort 12   Gavin Abo
• [Wien] EF not accurate, new emin,emax,NE-min,NE-max   Aboudi Hamouda
• [Wien] x xspec runtime error   Gavin Abo
  • [Wien] x xspec runtime error   Peter Blaha
    • [Wien] x xspec runtime error   Gavin Abo
      • [Wien] x xspec runtime error   Laurence Marks
  • [Wien] x xspec runtime error   Gerhard Fecher
    • [Wien] x xspec runtime error   Gavin Abo
      • [Wien] x xspec runtime error   Gerhard Fecher
      • [Wien] x xspec runtime error   Gavin Abo
      • [Wien] x xspec runtime error   Gerhard Fecher
      • [Wien] x xspec runtime error   Gavin Abo
• [Wien] Parallel Options   Ghosh SUDDHASATTWA
  • [Wien] Parallel Options   Laurence Marks
• [Wien] indmc   Yundi Quan
  • [Wien] indmc   tran at theochem.tuwien.ac.at
• [Wien] issue with doing structure minimization on MacPro workstation   Jian-Xin Zhu
  • [Wien] issue with doing structure minimization on MacPro workstation   Laurence Marks
    • [Wien] issue with doing structure minimization on MacPro workstation   Robert C. Albers
    • [Wien] issue with doing structure minimization on MacPro workstation   Gilles Hug
      • [Wien] issue with doing structure minimization on MacPro workstation   Gerhard Fecher
      • [Wien] issue with doing structure minimization on MacPro workstation   Gilles Hug
• [Wien] valency   Yundi Quan
  • [Wien] valency   Peter Blaha
• [Wien] ciftbx error: test.cif data_Wien2k_Data line : 22 (New Version of Wien2k)   Ghosh SUDDHASATTWA
  • [Wien] ciftbx error: test.cif data_Wien2k_Data line : 22 (New Version of Wien2k)   Laurence Marks
  • [Wien] ciftbx error: test.cif data_Wien2k_Data line : 22 (New Version of Wien2k)   Maurits W. Haverkort
• [Wien] Input of structure of random alloy in Wien2k   Ghosh SUDDHASATTWA
  • [Wien] Input of structure of random alloy in Wien2k   Yundi Quan
  • [Wien] Input of structure of random alloy in Wien2k   Gregory Pomrehn
• [Wien] BoltzTraP - case.intrans   Malgorzata Bukala
  • [Wien] band structure   Lukasz Plucinski
    • [Wien] band structure   Peter Blaha
• [Wien] charge disproportionation   Yundi Quan
• [Wien] Error in DOS. MBJ(GGA)   Jose Alfredo Camargo Martinez
• [Wien] partial DOS   Yundi Quan
  • [Wien] partial DOS   Peter Blaha
• [Wien] structure minimization   Yundi Quan
• [Wien] orbital moment   tripurari sinha
  • [Wien] orbital moment   Gerhard Fecher
  • [Wien] orbital moment   Stefaan Cottenier
• [Wien] ERROR: negative position in rstruc. Please report   Ghosh SUDDHASATTWA
  • [Wien] ERROR: negative position in rstruc. Please report   Peter Blaha
  • [Wien] ERROR: negative position in rstruc. Please report   Peter Blaha
    • [Wien] ERROR: negative position in rstruc. Please report   Ghosh SUDDHASATTWA
• [Wien] error when plotting spin density contours 3d   Aboudi Hamouda
• [Wien] REG: including 4f state in calculation   bobli rekharam
  • [Wien] REG: including 4f state in calculation   Stefaan Cottenier
• [Wien] aim input   Yundi Quan
• [Wien] Symmetry pts in Brillouin zone   J. K. Balamurugan
  • [Wien] Symmetry pts in Brillouin zone   Peter Blaha
    • [Wien] Symmetry pts in Brillouin zone   J. K. Balamurugan
      • [Wien] Symmetry pts in Brillouin zone   Peter Blaha
      • [Wien] Symmetry pts in Brillouin zone   J. K. Balamurugan
• [Wien] Ploting DOS   Dr Qiwen YAO
  • [Wien] Ploting DOS   Stefaan Cottenier
• [Wien] Problem in Elast output-reg.   jaya anand
  • [Wien] Problem in Elast output-reg.   jaya anand
    • [Wien] Problem in Elast output-reg.   Peter Blaha
• [Wien] parallel compuation   Yundi Quan
  • [Wien] parallel compuation   Peter Blaha
• [Wien] 4-D optimization   Viktor Zano
  • [Wien] 4-D optimization   Peter Blaha
    • [Wien] 4-D optimization   Viktor Zano
      • [Wien] 4-D optimization   Peter Blaha
      • [Wien] 4-D optimization   Viktor Zano
• [Wien] FGL total force   Yundi Quan
  • [Wien] FGL total force   Stefaan Cottenier
    • [Wien] FGL total force   Laurence Marks
      • [Wien] FGL total force   Yundi Quan
      • [Wien] optimization notes- Marks2004   Viktor Zano
      • [Wien] optimization notes- Marks2004   Laurence Marks
      • [Wien] optimization notes- Marks2004   Viktor Zano
      • [Wien] optimization notes- Marks2004   Viktor Zano
      • [Wien] optimization notes- Marks2004   Gavin Abo
      • [Wien] optimization notes- Marks2004   Viktor Zano
      • [Wien] Magnetic susceptibility and LDA+U   Viktor Zano
• [Wien] hubbard Us on two orbitals at the same atom   Bin Shao
  • [Wien] hubbard Us on two orbitals at the same atom   tran at theochem.tuwien.ac.at
• [Wien] bug in join_vectorfiles   katrusiat
  • [Wien] bug in join_vectorfiles   Peter Blaha
    • [Wien] bug in join_vectorfiles   Maxim Rakitin
      • [Wien] bug in join_vectorfiles   Peter Blaha
• [Wien] segmentation fault   Mojtaba Zareii
  • [Wien] segmentation fault   Peter Blaha
• [Wien] non-shared memory   Yundi Quan
  • [Wien] non-shared memory   Peter Blaha
    • [Wien] non-shared memory   Yundi Quan
      • [Wien] non-shared memory   YONGBIN LEE
• [Wien] change convergence criteria   Yundi Quan
  • [Wien] change convergence criteria   Peter Blaha
    • [Wien] change convergence criteria   Yundi Quan
• [Wien] testpara1_lapw   Yundi Quan
• [Wien] show   MAHDI SALMANI HIRMAND
• [Wien] PhD position in Vienna   Peter Blaha
• [Wien] Tetra NaN problem solved   Parker, David S.
• [Wien] A question regarding the calculated values of the DOS - a single unit cell vs a supercell   Qiwen YAO
  • [Wien] A question regarding the calculated values of the DOS - a single unit cell vs a supercell   Stefaan Cottenier
  • [Wien] A question regarding the calculated values of the DOS - a single unit cell vs a supercell   Peter Blaha
• [Wien] [GGA+U] with AFM and Spin-Orbit Coupling   Ghosh SUDDHASATTWA
  • [Wien] [GGA+U] with AFM and Spin-Orbit Coupling   tran at theochem.tuwien.ac.at
• [Wien] A question regarding the calculated values of the DOS - a single unit cell vs a supercell   Qiwen YAO
• [Wien] 2 PhD positions at Virginia Tech   Celine Hin
• [Wien] parallel computation   Yundi Quan
  • [Wien] parallel computation   Peter Blaha
• [Wien] a small bug in TELNES3.0   ZhenChen
  • [Wien] a small bug in TELNES3.0   Kevin Jorissen
• [Wien] Fw: BoltzTraP - case.intrans   Malgorzata Bukala
  • [Wien] Fw: BoltzTraP - case.intrans   Gerhard Fecher
    • [Wien] Fw: BoltzTraP - case.intrans   Laurence Marks
      • [Wien] Fw: BoltzTraP - case.intrans   Malgorzata Bukala
• [Wien] IBM Blue Gene   Lee, Yongbin [A LAB]
  • [Wien] IBM Blue Gene   Peter Blaha
• [Wien] radial mesh for total energy   Yundi Quan
  • [Wien] radial mesh for total energy   Peter Blaha
    • [Wien] radial mesh for total energy   Yundi Quan
      • [Wien] radial mesh for total energy   Laurence Marks
• [Wien] 2D fermisurface generation   丁明翠
  • [Wien] 2D fermisurface generation   Peter Blaha
• [Wien] phonon calculation   Yundi Quan
  • [Wien] phonon calculation   Ghosh SUDDHASATTWA
    • [Wien] phonon calculation   Yundi Quan
      • [Wien] phonon calculation   Ghosh SUDDHASATTWA
      • [Wien] phonon calculation   Yundi Quan
      • [Wien] phonon calculation   Stefaan Cottenier
      • [Wien] phonon calculation   Yundi Quan
      • [Wien] phonon calculation   Laurence Marks
      • [Wien] phonon calculation   Yundi Quan
      • [Wien] phonon calculation   Laurence Marks
      • [Wien] phonon calculation   Yundi Quan
      • [Wien] phonon calculation   Peter Blaha
  • [Wien] Problems with occupancy   Che Franklin N.
    • [Wien] Problems with occupancy   Gerhard Fecher
• [Wien] Job offer   ROBERTO LUIS IGLESIAS PASTRANA
• [Wien] difficult to converge   Yundi Quan
  • [Wien] difficult to converge   Laurence Marks
• [Wien] A question about the implementation of XSPEC   John McLeod
  • [Wien] A question about the implementation of XSPEC   Kevin Jorissen
    • [Wien] A question about the implementation of XSPEC   John McLeod
• [Wien] help pl.   M. Koshino
• [Wien] Problem with SO calculations   Ирина Шихман
• [Wien] spin texture?   Ruben Weht
  • [Wien] spin texture?   Yundi Quan
    • [Wien] spin texture?   Ruben Weht

Last message date: Fri Sep 30 23:49:40 CEST 2011
Archived on: Fri Sep 30 23:50:14 CEST 2011

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