January 2010 Archives by thread

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Starting: Fri Jan 1 19:38:57 CET 2010
Ending: Sun Jan 31 16:04:59 CET 2010
Messages: 160

• [Wien] pure d-orbital component   潘登
  • [Wien] pure d-orbital component   Pavel Novak
    • [Wien] pure d-orbital component   shamik chakrabarti
      • [Wien] pure d-orbital component   Gerhard Fecher
      • [Wien] XCrysDen in w2web?   Jian-Xin Zhu
      • [Wien] XCrysDen in w2web?   Peter Blaha
      • [Wien] XCrysDen in w2web?   Jian-Xin Zhu
• [Wien] The description of case.energy   Brendan Arnold
• [Wien] openmpi bugs   Laurence Marks
• [Wien] [Wien2k User Group] [Wien2k] Clarification on case.outputsgroup   Ghosh SUDDHASATTWA
  • [Wien] [Wien2k User Group] [Wien2k] Clarification on case.outputsgroup   Sergiu Arapan
• [Wien] Parallel calculation with Dual Quad Core Processors   马超
  • [Wien] Parallel calculation with Dual Quad Core Processors   Laurence Marks
• [Wien] [Wien2k Users] Structure Generation of Solid Solution inWien2k   Gerhard Fecher
  • [Wien] [Wien2k Users] Structure Generation of Solid Solution in Wien2k   Ghosh SUDDHASATTWA
    • [Wien] [Wien2k Users] Structure Generation of Solid Solution in Wien2k   Rocquefelte
• [Wien] [Wien2k Users] [Wien2k] Clarification on spin orbit coupling   Ghosh SUDDHASATTWA
  • [Wien] How does the flag -all in "x lapw2" work?   Oleg Artamonov
    • [Wien] How does the flag -all in "x lapw2" work?   Peter Blaha
      • [Wien] How does the flag -all in "x lapw2" work?   Oleg Artamonov
      • [Wien] How does the flag -all in "x lapw2" work?   Peter Blaha
  • [Wien] [Wien2k Users] [Wien2k] Clarification on spin orbit coupling   Peter Blaha
    • [Wien] [Wien2k Users] [Wien2k] Clarification on spin orbitcoupling   Ghosh SUDDHASATTWA
• [Wien] some comments on parallel execution of wien2k   Andres Saul
  • [Wien] some comments on parallel execution of wien2k   Laurence Marks
  • [Wien] some comments on parallel execution of wien2k   Robert Laskowski
    • [Wien] some comments on parallel execution of wien2k   Sergiu Arapan
• [Wien] wien2k compatibility with operating system   Dr Aruna Chatterjee
  • [Wien] wien2k compatibility with operating system   Yurko Natanzon
• [Wien] Unit in struct file   bli at notes.cc.sunysb.edu
  • [Wien] Unit in struct file   Stefaan Cottenier
• [Wien] band structure of GGA+SO calculation   Soumyajit Sarkar
• [Wien] QTL-B WARNING   Dima Vingurt
• [Wien] [Wien2k Users] [Wien2k] Energy vs Volume curve for Delta Plutonium   Ghosh SUDDHASATTWA
• [Wien] [Wien2k] Energy vs Volume curve for Delta Plutonium   Michael Fischer
  • [Wien] [Wien2k] Energy vs Volume curve for Delta Plutonium   Ghosh SUDDHASATTWA
• [Wien] [Wien2k] Energy vs Volume curve for Delta Plutonium   Michael Fischer
• [Wien] Problem Energy Sep LAPW2 ACTUALLY MKL PROBLEM   Laurence Marks
• [Wien] [Wien2k User Group] Volume optimization of Zirconium   Ghosh SUDDHASATTWA
• [Wien] [Wien2k User Group] Volume optimization of Zirconium   Michael Fischer
  • [Wien] [Wien2k User Group] Volume optimization of Zirconium   Ghosh SUDDHASATTWA
    • [Wien] [Wien2k User Group] Volume optimization of Zirconium   Stefaan Cottenier
      • [Wien] [Wien2k User Group] Volume optimization of Zirconium   Ghosh SUDDHASATTWA
• [Wien] Parallel calculation with Dual Quad Core Processors   马超
  • [Wien] Parallel calculation with Dual Quad Core Processors   Gerhard Fecher
• [Wien] optimize.job script for bash shells   Francisco Garcia
  • [Wien] optimize.job script for bash shells   stefaan.cottenier at ugent.be
• [Wien] Running on Teragrid (queenbee.loni-lsu)   Laurence Marks
• [Wien] Orbital Polarization   Francisco Garcia
• [Wien] Default options in Geometry Optimizer   Ghosh SUDDHASATTWA
• [Wien] [Wien2k User Group] Volume optimization of Zirconium   Michael Fischer
  • [Wien] [Wien2k User Group] Volume optimization of Zirconium   Ghosh SUDDHASATTWA
  • [Wien] [Wien2k User Group] Volume optimization of Zirconium   Ghosh SUDDHASATTWA
    • [Wien] [Wien2k User Group] Volume optimization of Zirconium   Peter Blaha
      • [Wien] [Wien2k User Group] Volume optimization of Zirconium   Ghosh SUDDHASATTWA
• [Wien] Running on Teragrid (queenbee.loni-lsu)   Oleg Rubel
  • [Wien] Running on Teragrid (queenbee.loni-lsu)   Laurence Marks
• [Wien] wien2k.v09.2 on a single node shared memory machine   Saeid Jalali
  • [Wien] wien2k.v09.2 on a single node shared memory machine   Peter Blaha
• [Wien] google search   Saeid Jalali
• [Wien] Wien2k User Group] 2DOptimize package in w2web   Ghosh SUDDHASATTWA
  • [Wien] Wien2k User Group] 2DOptimize package in w2web   Peter Blaha
    • [Wien] Wien2k User Group] 2DOptimize package in w2web   Ghosh SUDDHASATTWA
• [Wien] Solid Solution Structure Generation in Wien2k and PHONON   Ghosh SUDDHASATTWA
  • [Wien] Solid Solution Structure Generation in Wien2k and PHONON   Rocquefelte
• [Wien] Space group 185 HoMnO3   John Rundgren
  • [Wien] Space group 185 HoMnO3   Gerhard Fecher
  • [Wien] Space group 185 HoMnO3   Laurence Marks
  • [Wien] Space group 185 HoMnO3   Caroline Röhr
    • [Wien] Space group 185 HoMnO3   Gerhard Fecher
  • [Wien] Space group 185 HoMnO3   Peter Blaha
    • [Wien] Space group 185 HoMnO3   Gerhard Fecher
    • [Wien] Space group 185 HoMnO3   John Rundgren
• [Wien] "Word too long" error (lapw1para)   Laurence Marks
  • [Wien] "Word too long" error (lapw1para)   Gerhard Fecher
    • [Wien] "Word too long" error (lapw1para)   Laurence Marks
• [Wien] Parallel calculation with Dual Quad Core   马超
• [Wien] [Wien2k User Group] Transformation of structures   Ghosh SUDDHASATTWA
  • [Wien] [Wien2k User Group] Transformation of structures   Rocquefelte
    • [Wien] [Wien2k User Group] Transformation of structures   Rocquefelte
• [Wien] WIEN2k workshop: July 2010   Uichiro Mizutani
  • [Wien] WIEN2k workshop: July 2010   Peter Blaha
    • [Wien] WIEN2k workshop: July 2010   Uichiro Mizutani
• [Wien] Force Convergence criterion during SCF   Ghosh SUDDHASATTWA
  • [Wien] Force Convergence criterion during SCF   Duy Le
  • [Wien] Force Convergence criterion during SCF   Rocquefelte
    • [Wien] Force Convergence criterion during SCF   Ghosh SUDDHASATTWA
      • [Wien] Force Convergence criterion during SCF   Rocquefelte
      • [Wien] Force Convergence criterion during SCF   Ghosh SUDDHASATTWA
    • [Wien] Force Convergence criterion during SCF   Ghosh SUDDHASATTWA
• [Wien] Partial ordering in UZr2   Ghosh SUDDHASATTWA
  • [Wien] Partial ordering in UZr2   Stefaan Cottenier
• [Wien] Monoclinic setting in Wien2k-regarding   Ghosh SUDDHASATTWA
  • [Wien] Monoclinic setting in Wien2k-regarding   Stefaan Cottenier
    • [Wien] Monoclinic setting in Wien2k-regarding   Peter Blaha
      • [Wien] Monoclinic setting in Wien2k-regarding   Stefaan Cottenier
      • [Wien] Monoclinic setting in Wien2k-regarding   Rocquefelte
• [Wien] Problem with SRC_lapw1 compilation in Wien2K_09.02   Ranyele Amorim
  • [Wien] Fermi surface in XCrySDen with data from wien2k parallel calculations   Jian-Xin Zhu
    • [Wien] Fermi surface in XCrySDen with data from wien2k parallel calculations   Jian-Xin Zhu
      • [Wien] Fermi surface in XCrySDen with data from wien2k parallel calculations   Peter Blaha
      • [Wien] Fermi surface in XCrySDen with data from wien2k parallel calculations   Jian-Xin Zhu
    • [Wien] Fermi surface in XCrySDen with data from wien2k parallel calculations   David Tompsett
      • [Wien] Fermi surface in XCrySDen with data from wien2k parallel calculations   Jian-Xin Zhu
  • [Wien] Problem with SRC_lapw1 compilation in Wien2K_09.02   Gerhard Fecher
    • [Wien] Problem with SRC_lapw1 compilation in Wien2K_09.02   Peter Blaha
• [Wien] Change in case.inso file for spin orbit coupling   Ghosh SUDDHASATTWA
  • [Wien] Change in case.inso file for spin orbit coupling   Stefaan Cottenier
    • [Wien] Change in case.inso file for spin orbit coupling   Ghosh SUDDHASATTWA
    • [Wien] Change in case.inso file for spin orbit coupling   Ghosh SUDDHASATTWA
• [Wien] About structure: TbFe2   Hui Wang
  • [Wien] *** JUNK MAIL *** About structure: TbFe2   wmppemam at lg.ehu.es
• [Wien] Clarification on Spin Orbit Coupling   Ghosh SUDDHASATTWA
  • [Wien] Clarification on Spin Orbit Coupling   stefaan.cottenier at ugent.be
    • [Wien] Clarification on Spin Orbit Coupling   Ghosh SUDDHASATTWA
• [Wien] warning:you must move the origin.   王静
• [Wien] Direction of magnetization in case of Spin Orbit Coupling   Ghosh SUDDHASATTWA
• [Wien] Running MPI parrallelization in Wien2k   Ghosh SUDDHASATTWA
  • [Wien] MPI for lapwso   Md. Fhokrul Islam
• [Wien] scf cycle for large cell parameter.   mayank gupta
• [Wien] use of wien2k for simulation of properties at higher temperature   shamik chakrabarti
• [Wien] esepermin and eseper0 description   Amene Nouri
  • [Wien] esepermin and eseper0 description   Stefaan Cottenier
• [Wien] [Wien2k] Initialization of supercells made in PHONON   Ghosh SUDDHASATTWA
• [Wien] [Wien2k] Step by Step tutorial for Supercell construction   Ghosh SUDDHASATTWA
  • [Wien] [Wien2k] Step by Step tutorial for Supercell construction   Stefaan Cottenier
• [Wien] [Wien2k Users] Breaking symmetry in Wien2k for supercells   Ghosh SUDDHASATTWA
• [Wien] [Wien2k Users] Running MPI parrallelization in Wien2k   Ghosh SUDDHASATTWA
• [Wien] [Wien2k Users] Global Energy parameter   Ghosh SUDDHASATTWA
  • [Wien] [Wien2k Users] Global Energy parameter   Stefaan Cottenier
    • [Wien] [Wien2k Users] Global Energy parameter   Ghosh SUDDHASATTWA
      • [Wien] [Wien2k Users] Global Energy parameter   Stefaan Cottenier
• [Wien] cohesive energy calculation   mayank gupta
  • [Wien] cohesive energy calculation   Stefaan Cottenier
• [Wien] MPI segmentation fault   Md. Fhokrul Islam
  • [Wien] MPI segmentation fault   Laurence Marks
    • [Wien] MPI segmentation fault   Md. Fhokrul Islam
      • [Wien] MPI segmentation fault   Laurence Marks
      • [Wien] MPI segmentation fault   Laurence Marks
      • [Wien] MPI segmentation fault   Laurence Marks
• [Wien] Problems of HCP Tb   Hui Wang
  • [Wien] Problems of HCP Tb   Ghosh SUDDHASATTWA
  • [Wien] Problems of HCP Tb   Stefaan Cottenier
• [Wien] [Wien2k Users] mpi parallel and k-point parallel   Ghosh SUDDHASATTWA
• [Wien] [Wien2k Users] Spin polarized and spin orbit calculations for f-systems   Ghosh SUDDHASATTWA
• [Wien] Fwd: MPI segmentation fault   Laurence Marks
  • [Wien] Fwd: MPI segmentation fault   Md. Fhokrul Islam
• [Wien] [Wien2k Users] Spin orbit coupling of Atom with many nonequivalent positions   Ghosh SUDDHASATTWA
• [Wien] Problems of HCP Tb!!! (the second time)   Hui Wang
  • [Wien] Problems of HCP Tb!!! (the second time)   Stefaan Cottenier
• [Wien] Fwd: MPI segmentation fault   Md. Fhokrul Islam
  • [Wien] Fwd: MPI segmentation fault   Md. Fhokrul Islam
  • [Wien] Fwd: MPI segmentation fault   Laurence Marks
    • [Wien] Fwd: MPI segmentation fault   Md. Fhokrul Islam
• [Wien] supercell structure under pressure   kongshi
  • [Wien] supercell structure under pressure   Rocquefelte
• [Wien] more than one slab calculation   shamik chakrabarti
  • [Wien] more than one slab calculation   Rocquefelte
    • [Wien] more than one slab calculation   shamik chakrabarti
      • [Wien] more than one slab calculation   yiachang at gate.sinica.edu.tw

Last message date: Sun Jan 31 16:04:59 CET 2010
Archived on: Sun Jan 31 16:05:14 CET 2010

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