August 2012 Archives by thread

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Starting: Wed Aug 1 05:59:59 CEST 2012
Ending: Fri Aug 31 18:48:00 CEST 2012
Messages: 225

• [Wien] Spin texture in reciprocal space   Paul Fons
• [Wien] xcrysden large multipler k-points   محمد ارشد فرحان
• [Wien] Repair Job   Bakhtiar Ul Haq
  • [Wien] Repair Job   Peter Blaha
• [Wien] Benchmarks -- comments please   Laurence Marks
  • [Wien] Benchmarks -- comments please   Laurence Marks
• [Wien] v12: SRC_lapwso: init.f fix   Kateryna Foyevtsova
  • [Wien] v12: SRC_lapwso: init.f fix   Peter Blaha
• [Wien] Slow lapw1   Laurence Marks
  • [Wien] Slow lapw1   Laurence Marks
    • [Wien] Slow lapw1   Laurence Marks
• [Wien] Regarding Wien2k_12 installation   Kondaiah Samudrala
  • [Wien] Regarding Wien2k_12 installation   Peter Blaha
• [Wien] LDA+U+SOC problem   Peter Blaha
  • [Wien] LDA+U+SOC problem   Zhang Haijun
    • [Wien] LDA+U+SOC problem   Peter Blaha
• [Wien] Spin texture in reciprocal space   Paul Fons
• [Wien] Spin texture in reciprocal space   Paul Fons
• [Wien] Spin texture in reciprocal space   Paul Fons
• [Wien] compiling of WIEN2K..11.1 version   AJAY SINGH VERMA
  • [Wien] compiling of WIEN2K..11.1 version   越野雅至
    • [Wien] compiling of WIEN2K..11.1 version   AJAY SINGH VERMA
      • [Wien] compiling of WIEN2K..11.1 version   Gavin Abo
• [Wien] compiling of WIEN2K..11.1 version   Laurence Marks
  • [Wien] Parallel lapw1 bug, WIEN2K_12?   Parker, David S.
• [Wien] Spin Texture   Paul Fons
• [Wien] Electric Field Effects   Paul Fons
  • [Wien] Electric Field Effects   Peter Blaha
    • [Wien] Electric Field Effects   Paul Fons
      • [Wien] Electric Field Effects   Peter Blaha
• [Wien] Parallel lapw1 bug, WIEN2K_12?   Laurence Marks
  • [Wien] Parallel lapw1 bug, WIEN2K_12?   Parker, David S.
• [Wien] compilation problem   AJAY SINGH VERMA
  • [Wien] compilation problem   Jameson Maibam
    • [Wien] compilation problem   Fecher, Gerhard
    • [Wien] lapw1c error   hazem salem
• [Wien] lapw1c error   Laurence Marks
  • [Wien] lapw1c error   hazem salem
• [Wien] wien   Alexey Korshunov
  • [Wien] wien   Kateryna Foyevtsova
• [Wien] wien   Laurence Marks
• [Wien] lapw1c error   Laurence Marks
  • [Wien] lapw1c error   hazem salem
• [Wien] Invitation to connect on LinkedIn   Lucas Fernández Seivane via LinkedIn
• [Wien] help required   arqum hashmi
  • [Wien] help required   Peter Blaha
    • [Wien] help required   arqum hashmi
• [Wien] update-Version of Ortho-elast   morteza jamal
• [Wien] ERROR: negative position   Mojtaba Zareii
  • [Wien] ERROR: negative position   Gavin Abo
    • [Wien] ERROR: negative position   Kateryna Foyevtsova
      • [Wien] ERROR: negative position   Fecher, Gerhard
      • [Wien] ERROR: negative position   Kateryna Foyevtsova
      • [Wien] ERROR: negative position   Peter Blaha
  • [Wien] ERROR: negative position   Peter Blaha
• [Wien] manuscript on ulexite and probertite   Zhou Bing
• [Wien] please ignore my private email to Stefaan   Zhou Bing
• [Wien] ERROR: negative position   Laurence Marks
• [Wien] (no subject)   Hernandez, Sarah C
  • [Wien] Discontinuity in volume optimization curve   Hernandez, Sarah C
• [Wien] Discontinuity in volume optimization curve   Laurence Marks
• [Wien] question about VZERO   Shruba Gangopadhyay
  • [Wien] question about VZERO   Peter Blaha
  • [Wien] question about VZERO   Shruba Gangopadhyay
    • [Wien] question about VZERO   Barbara Jones
• [Wien] When to apply the SOC and when not to apply SOC in the calculation?   Qiwen
  • [Wien] When to apply the SOC and when not to apply SOC in the calculation?   Peter Blaha
    • [Wien] When to apply the SOC and when not to apply SOC in the calculation?   Qiwen
• [Wien] Discontinuity in volume optimization curve   Peter Blaha
• [Wien] Fermi surfaces shaded by band velocities   李斌
• [Wien] problem with the execution of run_lapw   AJAY SINGH VERMA
• [Wien] configure input file for TETRA   Viktor Zano
  • [Wien] configure input file for TETRA   Jameson Maibam
    • [Wien] configure input file for TETRA   Viktor Zano
• [Wien] -eece and -hf switch for hybrid functionals   ali ghafari
  • [Wien] -eece and -hf switch for hybrid functionals   Peter Blaha
    • [Wien] permop.f   Saeid Jalali
    • [Wien] -eece and -hf switch for hybrid functionals   ali ghafari
      • [Wien] -eece and -hf switch for hybrid functionals   Peter Blaha
• [Wien] configure input file for TETRA   Viktor Zano
  • [Wien] configure input file for TETRA   Peter Blaha
    • [Wien] configure input file for TETRA   Viktor Zano
      • [Wien] configure input file for TETRA   Peter Blaha
    • [Wien] configure input file for TETRA   Gavin Abo
      • [Wien] configure input file for TETRA   Viktor Zano
      • [Wien] configure input file for TETRA   Peter Blaha
• [Wien] (no subject)   Sebahaddin ALPTEKİN
• [Wien] LAPW2 crashed!   Yunguo Li
  • [Wien] LAPW2 crashed!   Peter Blaha
    • [Wien] LAPW2 crashed!   Yunguo Li
• [Wien] LAPW2 crashed!   Laurence Marks
  • [Wien] LAPW2 crashed!   Yunguo Li
• [Wien] LAPW2 crashed!   Laurence Marks
  • [Wien] LAPW2 crashed!   Gavin Abo
  • [Wien] LAPW2 crashed!   Yunguo Li
• [Wien] Okay to combine mBJ, spinorbit, and LDA+U?   Jeff Spirko
• [Wien] Okay to combine mBJ, spinorbit, and LDA+U?   Laurence Marks
  • [Wien] Okay to combine mBJ, spinorbit, and LDA+U?   Zhiyong Zhu
    • [Wien] Okay to combine mBJ, spinorbit, and LDA+U?   tran at theochem.tuwien.ac.at
  • [Wien] Okay to combine mBJ, spinorbit, and LDA+U?   Peter Blaha
    • [Wien] Okay to combine mBJ, spinorbit, and LDA+U?   Kamil Klier
      • [Wien] Okay to combine mBJ, spinorbit, and LDA+U?   tran at theochem.tuwien.ac.at
      • [Wien] Okay to combine mBJ, spinorbit, and LDA+U?   Kamil Klier
      • [Wien] Okay to combine mBJ, spinorbit, and LDA+U?   Peter Blaha
      • [Wien] Okay to combine mBJ, spinorbit, and LDA+U?   Jameson Maibam
      • [Wien] Okay to combine mBJ, spinorbit, and LDA+U?   Peter Blaha
      • [Wien] Okay to combine mBJ, spinorbit, and LDA+U?   Jameson Maibam
• [Wien] LAPW2 crashed!   Laurence Marks
• [Wien] Okay to combine mBJ, spinorbit, and LDA+U?   Laurence Marks
• [Wien] MSR1a   Laurence Marks
• [Wien] LAPW2 crashed   Peter Blaha
• [Wien] Wave function parity analysis   李斌
  • [Wien] Wave function parity analysis   Peter Blaha
• [Wien] Okay to combine mBJ, spinorbit, and LDA+U?   Laurence Marks
• [Wien] reg: dHvA   Swetarekha Ram
• [Wien] reg: dHvA affect   Swetarekha Ram
  • [Wien] reg: dHvA affect   Zhu, Jianxin
• [Wien] Plotting the .rho file   Joshua Davis
  • [Wien] Plotting the .rho file   Peter Blaha
  • [Wien] Plotting the .rho file   Kateryna Foyevtsova
• [Wien] Plotting the .rho file   Laurence Marks
• [Wien] Regarding Rkmax choosing for molecular crystals   Kondaiah Samudrala
  • [Wien] Regarding Rkmax choosing for molecular crystals   Peter Blaha
• [Wien] Non-Collinear Magnetism & Wien2k   Jerry Bettis
• [Wien] Non-Collinear Magnetism (NCM) and Wien2k   Jerry Bettis
  • [Wien] Non-Collinear Magnetism (NCM) and Wien2k   Robert Laskowski
• [Wien] (no subject)   Madhav Ghimire
• [Wien] Problems in convergence due to application of mBj potential   Madhav Ghimire
  • [Wien] Problems in convergence due to application of mBj potential   Peter Blaha
    • [Wien] Problems in convergence due to application of mBj potential   Madhav Ghimire
  • [Wien] Problems in convergence due to application of mBj potential   Kateryna Foyevtsova
• [Wien] Virtual-crystal   Jihoon Park
  • [Wien] Virtual-crystal   Peter Blaha
    • [Wien] Virtual-crystal   Fecher, Gerhard
      • [Wien] Virtual-crystal   Peter Blaha
  • [Wien] Virtual-crystal   Fecher, Gerhard
  • [Wien] Virtual-crystal   Jihoon Park
• [Wien] Regarding Rkmax choosing for molecular crystals   Kondaiah Samudrala
  • [Wien] Regarding Rkmax choosing for molecular crystals   Peter Blaha
• [Wien] dstart error for a monoclinic lattice (wien2k 9.0 version).   Sanjeev K. Srivastava
  • [Wien] dstart error for a monoclinic lattice (wien2k 9.0 version).   Peter Blaha
    • [Wien] dstart error for a monoclinic lattice (wien2k 9.0 version).   Sanjeev K. Srivastava
• [Wien] dstart error for a monoclinic lattice (wien2k 9.0 version).   Sanjeev K. Srivastava
• [Wien] Problems in convergence due to application of mBj potential   Laurence Marks
  • [Wien] Problems in convergence due to application of mBj potential   Madhav Ghimire
• [Wien] Problems in convergence due to application of mBj potential   Laurence Marks
• [Wien] Problems in convergence due to application of mBj potential   Laurence Marks
  • [Wien] Problems in convergence due to application of mBj potential   Luis Carlos Ogando Dacal
• [Wien] reg: dHvA affect   Patrick Rourke
• [Wien] LDA+U: around mean field   Kateryna Foyevtsova
• [Wien] resolution dependent F(HKL)s from lapw3   Georg Eickerling
  • [Wien] resolution dependent F(HKL)s from lapw3   Peter Blaha
    • [Wien] resolution dependent F(HKL)s from lapw3   Georg Eickerling
• [Wien] resolution dependent F(HKL)s from lapw3   Laurence Marks
• [Wien] Wien Digest, Vol 80, Issue 7   Tiem Leong Yoon
  • [Wien] Wien Digest, Vol 80, Issue 7   Peter Blaha
• [Wien] lapw2 aborted during SCF using 3rd structure in force minimization   shamik chakrabarti
  • [Wien] lapw2 aborted during SCF using 3rd structure in force minimization   Peter Blaha
    • [Wien] lapw2 aborted during SCF using 3rd structure in force minimization   shamik chakrabarti
• [Wien] lapw2 aborted during SCF using 3rd structure in force minimization   Laurence Marks
  • [Wien] lapw2 aborted during SCF using 3rd structure in force minimization   Shamik Chakrabarti
• [Wien] Problems in the 1st step of the SCF cycle of mBj   eitel at iflysib.unlp.edu.ar
  • [Wien] Problems in the 1st step of the SCF cycle of mBj   Parker, David S.
  • [Wien] Problems in the 1st step of the SCF cycle of mBj   Peter Blaha
    • [Wien] Problems in the 1st step of the SCF cycle of mBj   eitel at iflysib.unlp.edu.ar
  • [Wien] Problems in the 1st step of the SCF cycle of mBj   Luis Carlos Ogando Dacal
    • [Wien] Problems in the 1st step of the SCF cycle of mBj   Gavin Abo
      • [Wien] Problems in the 1st step of the SCF cycle of mBj   Gavin Abo
• [Wien] Wien Digest, Vol 80, Issue 7   Laurence Marks
• [Wien] Calculation of band gap using PBE0 and YS-PBE0   yedu kondalu
  • [Wien] Calculation of band gap using PBE0 and YS-PBE0   tran at theochem.tuwien.ac.at
• [Wien] Problems in the 1st step of the SCF cycle of mBj   eitel at iflysib.unlp.edu.ar
• [Wien] Problems in the 1st step of the SCF cycle of mBj   Laurence Marks
  • [Wien] Problems in the 1st step of the SCF cycle of mBj   Gavin Abo
    • [Wien] Problems in the 1st step of the SCF cycle of mBj   Fecher, Gerhard
      • [Wien] Problems in the 1st step of the SCF cycle of mBj   Luis Carlos Ogando Dacal
• [Wien] Problems with mpi for Wien12.1   Paul Fons
  • [Wien] Problems with mpi for Wien12.1   Peter Blaha
    • [Wien] Problems with mpi for Wien12.1   Paul Fons
• [Wien] Problems in the 1st step of the SCF cycle of mBj   Laurence Marks
  • [Wien] Problems in the 1st step of the SCF cycle of mBj   Laurence Marks
    • [Wien] Problems in the 1st step of the SCF cycle of mBj   Laurence Marks
      • [Wien] Problems in the 1st step of the SCF cycle of mBj   Laurence Marks
      • [Wien] Problems in the 1st step of the SCF cycle of mBj   Laurence Marks
• [Wien] Problems with mpi for Wien12.1   Laurence Marks
  • [Wien] Problems with mpi for Wien12.1   Peter Blaha
    • [Wien] Problems with mpi for Wien12.1   Paul Fons
• [Wien] Non-Collinear Magnetism (NCM) and Wien2k   Jerry Bettis
• [Wien] Virtual-crystal   Jihoon Park
  • [Wien] Virtual-crystal   Fecher, Gerhard
  • [Wien] Virtual-crystal   Jihoon Park
    • [Wien] Virtual-crystal   Jihoon Park
• [Wien] siteconfig MPI_REMOTE   Gavin Abo
  • [Wien] siteconfig MPI_REMOTE   Peter Blaha
• [Wien] Installation of parallel version of Wien2k-12.1 : Reg.   yedu kondalu
  • [Wien] Installation of parallel version of Wien2k-12.1 : Reg.   Gavin Abo
• [Wien] Plz help required   arqum hashmi
• [Wien] Fwd: problem with display of SCF results with Wi2ek version 8   Muhammad Sajjad
  • [Wien] Fwd: problem with display of SCF results with Wi2ek version 8   Peter Blaha
    • [Wien] Fwd: problem with display of SCF results with Wi2ek version 8   Muhammad Sajjad
      • [Wien] Fwd: problem with display of SCF results with Wi2ek version 8   Gavin Abo
• [Wien] eigenvectors storage   pascal boulet
  • [Wien] eigenvectors storage   Peter Blaha
    • [Wien] eigenvectors storage   pascal boulet
• [Wien] Error in (x joint) calculating optical properties.   Masood Yousaf
  • [Wien] Error in (x joint) calculating optical properties.   Gavin Abo
    • [Wien] Error in (x joint) calculating optical properties.   Masood Yousaf
      • [Wien] Error in (x joint) calculating optical properties.   Gavin Abo
      • [Wien] Error in (x joint) calculating optical properties.   Masood Yousaf
      • [Wien] Error in (x joint) calculating optical properties.   Gavin Abo
• [Wien] Thin film calculations using wien2k Reg.   yedu kondalu
  • [Wien] Thin film calculations using wien2k Reg.   Peter Blaha
• [Wien] Problems with mpi for Wien12.1   Laurence Marks
  • [Wien] Problems with mpi for Wien12.1   Paul Fons
• [Wien] Problems with mpi for Wien12.1   Laurence Marks
  • [Wien] Problems with mpi for Wien12.1   Laurence Marks
• [Wien] Problems in convergence due to application of mBj potential   Laurence Marks
  • [Wien] Problems in convergence due to application of mBj potential   Luis Carlos Ogando Dacal
    • [Wien] Problems in convergence due to application of mBj potential   Peter Blaha
      • [Wien] Problems in convergence due to application of mBj potential   Luis Carlos Ogando Dacal
      • [Wien] Problems in convergence due to application of mBj potential   Peter Blaha
• [Wien] Problems in convergence due to application of mBj potential   Laurence Marks
  • [Wien] Problems in convergence due to application of mBj potential   Luis Carlos Ogando Dacal
• [Wien] Error with DOS POTS   Yunguo Li
  • [Wien] Error with DOS POTS   Gavin Abo

Last message date: Fri Aug 31 18:48:00 CEST 2012
Archived on: Fri Aug 31 18:48:23 CEST 2012

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