July 2004 Archives by thread

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Starting: Thu Jul 1 02:03:29 CEST 2004
Ending: Sat Jul 31 07:19:43 CEST 2004
Messages: 257

• [Wien] klist_band file   WANG Yuan Xu
  • [Wien] klist_band file   Torsten Andersen
• [Wien] WIEN2k_02   Sherif Yehia
• [Wien] convergence of Bader (aim) calculations   Peter Blaha
• [Wien] AFM & case.in1   Peter Blaha
• [Wien] surface calculations convergence   yvon billa
• [Wien] Using Monkhorst mesh for SCF   Jorissen Kevin
  • [Wien] Using Monkhorst mesh for SCF   Nandan Tandon
    • [Wien] Using Monkhorst mesh for SCF   georg at chem.au.dk
• [Wien] mpi version on AIX   yvon billa
• [Wien] VLM's (very large matrices)   Jorissen Kevin
  • [Wien] VLM's (very large matrices)   Peter Blaha
• [Wien] Using Monkhorst mesh for SCF   Jorissen Kevin
  • [Wien] Using Monkhorst mesh for SCF   Nandan Tandon
    • [Wien] Using Monkhorst mesh for SCF   georg at chem.au.dk
• [Wien] VLM's (very large matrices)   Jorissen Kevin
  • [Wien] VLM's (very large matrices)   Torsten Andersen
• [Wien] Lattic Type for wz structure   Jorissen Kevin
• [Wien] Lattic Type for wz structure   thomas.mazet
• [Wien] Lattic Type for wz structure   Peter Blaha
• [Wien] VLM's (very large matrices)   Jorissen Kevin
  • [Wien] VLM's (very large matrices)   Peter Blaha
• [Wien] NEC SX5   Gilles Hug
• [Wien] NVEC3 too small.   Torsten Andersen
  • [Wien] NVEC3 too small.   Peter Blaha
• [Wien] symmetry operation   Dong YuHui
• [Wien] symmetry operation   Jorissen Kevin
  • [Wien] symmetry operation   Javad Hashemifar
• [Wien] Segmentation Fault in lapw0   Sam Leitch
  • [Wien] Segmentation Fault in lapw0   Fred Nastos
    • [Wien] Segmentation Fault in lapw0   Sam Leitch
      • [Wien] how to choose the values of U and J in LDA+U   Yushan Wang
      • [Wien] how to choose the values of U and J in LDA+U   Stefaan Cottenier
      • [Wien] how to choose the values of U and J in LDA+U   Yushan Wang
      • [Wien] how to calculate the ion-doped semiconductor   Yushan Wang
      • [Wien] how to choose the values of U and J in LDA+U   Sherif Yehia
      • [Wien] Segmentation Fault in lapw0   Torsten Andersen
      • [Wien] Segmentation Fault in lapw0   Sam Leitch
      • [Wien] Segmentation Fault in lapw0   L. D. Marks
• [Wien] Re: Segmentation Fault in lapw0   Renate Dohmen INF
  • [Wien] the unit in the output files of wien   Zhou Taojun
• [Wien] How to obtain PHONON program of Parlinski   Ichiro Nagano
  • [Wien] How to obtain PHONON program of Parlinski   Marco Schowalter
• [Wien] Problem with pbs queunig system   Marco Schowalter
  • [Wien] Problem with pbs queunig system   Peter Blaha
    • [Wien] Problem with pbs queunig system   Marco Schowalter
• [Wien] Compile error on Linux Opteron / PGI   wiener at arcscluster.caltech.edu
• [Wien] [addendum] Compile error on Linux Opteron / PGI   wiener at arcscluster.caltech.edu
• [Wien] how to calculate the ion-doped semiconductor   Jorissen Kevin
  • [Wien] how to calculate the ion-doped semiconductor   Yushan Wang
• [Wien] : Problems with Intel 8.0 compilers   Emilio Orgaz
• [Wien] how to calculate the ion-doped semiconductor   Jorissen Kevin
  • [Wien] how to calculate the ion-doped semiconductor   Yushan Wang
• what is background charge // RE: [Wien] how to calculate the ion-doped semiconductor   Jorissen Kevin
  • what is background charge // RE: [Wien] how to calculate the ion-doped semiconductor   Yushan Wang
• [Wien] optimization of Bader program   Jorissen Kevin
  • [Wien] optimization of Bader program   Javier Daniel Fuhr
• [Wien] Compile error on Linux Opteron / PGI   wiener at arcscluster.caltech.edu
  • [Wien] Compile error on Linux Opteron / PGI   Stefaan Cottenier
• what is background charge // RE: [Wien] how to calculate theion-doped semiconductor   Jorissen Kevin
• [Wien] Hyperfine field of FCC-Ni   Pavel Novak
  • [Wien] Hyperfine field of FCC-Ni   Shunli Shang
• [wien] system error   taiiebeh molarooy
• [Wien] information   sam
  • [Wien] information   Stefaan Cottenier
• [Wien] error in running spagetti   Mahmoud Payami
• [Wien] error in running spagetti   Mahmoud Payami
• [wien] LAPW1 error   taiiebeh molarooy
• [wien] LAPW1 error   taiiebeh molarooy
• [Wien] about surface structure optimized   WANG Yuan Xu
  • [Wien] about surface structure optimized   L. D. Marks
    • [Wien] about surface structure optimized   Stefaan Cottenier
• [Wien] bandstructure plot!   董瑶非
• [Wien] How can I compile the code with Linux 9.0 and ifc7.1   ram kumar thapa
• [Wien] Error in LAPW2   chahra mef
  • [Wien] Error in LAPW2   Torsten Andersen
• [Wien] Error in LAPW2   Jorissen Kevin
• [Wien] bandstructure!   张振华
  • [Wien] bandstructure!   Andrzej Kole¿yñski
• [Wien] segmentation fault error for beta-cristobalite   Joel Abrahamson
  • [Wien] segmentation fault error for beta-cristobalite   Torsten Andersen
• [Wien] segmentation fault error for beta-cristobalite   Jorissen Kevin
• [Wien] about calculating the magnetic moment   Sun Yiyang
  • [Wien] about calculating the magnetic moment   Stefaan Cottenier
  • [Wien] about calculating the magnetic moment   Torsten Andersen
• [Wien] lapw1 -band   shokoufe khosravi
• [Wien] about calculating the magnetic moment   Sun Yiyang
  • [Wien] about calculating the magnetic moment   Stefaan Cottenier
• [Wien] segmentation fault error for beta-cristobalite   Joel Abrahamson
  • [Wien] K-mesh compatibility   Cesar Lazo
    • [Wien] ** LAPW1 crashed!   Bing Zhou
      • [Wien] ** LAPW1 crashed!   Torsten Andersen
      • [Wien] ** LAPW1 crashed!   Bing Zhou
    • [Wien] K-mesh compatibility   Gus Hart
    • [Wien] K-mesh compatibility   Peter Blaha
    • [Wien] K-mesh compatibility   Stefaan Cottenier
• [Wien] list informaion by error code   WANG Yuan Xu
  • [Wien] list informaion by error code   Stefaan Cottenier
• [Wien] which optimization is more important, E vs volume or E vs c/a?   cygeng77
  • [Wien] which optimization is more important, E vs volume or E vs c/a?   Stefaan Cottenier
    • [Wien] which optimization is more important, E vs volume or E vs c/a?   cygeng77
• [Wien] stop error!   张振华
  • [Wien] stop error!   Stefaan Cottenier
• [Wien] list informaion by error code   Jorissen Kevin
• [Wien] charge density   chahra mef
• [Wien] cohere energy   yulihua-wh at sohu.com
  • [Wien] cohere energy   Stefaan Cottenier
• [Wien] segmentation fault error for beta-cristobalite   Joel Abrahamson
  • [Wien] segmentation fault error for beta-cristobalite   Sam Leitch
    • [Wien] SP+SO calculation   Shunli Shang
      • [Wien] SP+SO calculation   Peter Blaha
      • [Wien] SP+SO calculation   Shunli Shang
      • [Wien] SP+SO calculation   Peter Blaha
      • [Wien] SP+SO calculation   Shunli Shang
      • [Wien] SP+SO calculation   Yushan Wang
      • [Wien] save me, please   Yushan Wang
      • [Wien] about the .inorb   Yushan Wang
      • [Wien] about the .inorb   Stefaan Cottenier
      • [Wien] about the .inorb   Yushan Wang
      • [Wien] about the NiO   Yushan Wang
      • [Wien] about the NiO   Stefaan Cottenier
      • [Wien] SP+SO calculation   Peter Blaha
      • [Wien] SP+SO calculation   Shunli Shang
• [Wien] min error   WANG Yuan Xu
  • [Wien] min error   Torsten Andersen
• [Wien] Informaion by error code   WANG Yuan Xu
• [Wien] Structure optimized error   WANG Yuan Xu
  • [Wien] Structure optimized error   L. D. Marks
• [Wien] mini error for surface   WANG Yuan Xu
• [Wien] whether wien2k can calculate the COOP or ELF?   Lo Achd
  • [Wien] whether wien2k can calculate the COOP or ELF?   Peter Blaha
• [Wien] cif2struct   Rebecca Nicholls
  • [Wien] cif2struct   Robert Laskowski
• [Wien] Compilation on Athlon   Griselda Garcia
• [Wien] cif2struct   Jorissen Kevin
  • [Wien] cif2struct   Rebecca Nicholls
• [Wien] Error of symmetso   whoming at sohu.com
• [Wien] segmentation fault error for beta-cristobalite   Jorissen Kevin
• [Wien] cohere energy   yulihua-wh at sohu.com
  • [Wien] cohere energy   Stefaan Cottenier
• [Wien] cohere energy   yulihua-wh at sohu.com
• [Wien] DOS failed!   Dw Liu
• [Wien] I have a question about electron density plots   Antoni Rewinski - Inst. Mat. i Fiz. PB
  • [Wien] I have a question about electron density plots   Stefaan Cottenier
• [Wien] DOS failed!   Jorissen Kevin
• [Wien] electron density plots   Jack London
  • [Wien] electron density plots   Stefaan Cottenier
• [Wien] WIEN crashing on Red Hat 9.0   Griselda Garcia
• [Wien] irrep stops.   shokoufe khosravi
• [Wien] irrep stops.   shokoufe khosravi
• [Wien] composite x-ray spectrum.   shokoufe khosravi
• [Wien] composite x-ray spectrum.   Jorissen Kevin
  • [Wien] composite x-ray spectrum.   shokoufe khosravi
    • [Wien] composite x-ray spectrum.   Peter Blaha
• [Wien] Ghost bands & NiO surface   L. D. Marks
  • [Wien] Ghost bands & NiO surface   Stefaan Cottenier
    • [Wien] Ghost bands & NiO surface   L. D. Marks
• [Wien] Nucleus energy   L. D. Marks
  • [Wien] Nucleus energy   Stefaan Cottenier
• [Wien] Re: [Wien]DOS failed!   张振华
• [Wien] composite x-ray spectrum.   Jorissen Kevin
• [Wien] kgen and lapw1 on intel machines   gpzhang
  • [Wien] kgen and lapw1 on intel machines   Peter Blaha
• [Wien] cluster   sam
  • [Wien] (no subject)   george bush
    • [Wien] (no subject)   Torsten Andersen
• [Wien] charge density   chahra mef
  • [Wien] charge density   Yushan Wang
• [Wien] charge density   apu at veccal.ernet.in
• [Wien] Character Plotting   fabella
  • [Wien] Character Plotting   Peter Blaha
  • [Wien] Character Plotting   Torsten Andersen
• [Wien] spin polarized optical calculations with so   Chukwuemeka Okoye
• [Wien] AFM   Helen Müller
• [Wien] kgen and lapw1 on intel machines   gpzhang
  • [Wien] kgen and lapw1 on intel machines   Peter Blaha
• [Wien] Surface Layer Optimization   Chiung-Yuan Lin
  • [Wien] Surface Layer Optimization   Peter Blaha
    • [Wien] Surface Layer Optimization   Chiung-Yuan Lin
      • [Wien] Surface Layer Optimization   Stefaan Cottenier
• [Wien] runsp_lapw -p (LAPW1 crashed!)   Paula Alonso
• [Wien] effective charges & magnetic moments in alloy   strutza at bgumail.bgu.ac.il
• [Wien] Problems with minimizing forces   Ole J. Eide
  • [Wien] Problems with minimizing forces   L. D. Marks
• [Wien] [Ver.2] effective charges & magnetic moments in alloy   strutza at bgumail.bgu.ac.il
• [Wien] Spin polarised optical calculation with spin orbit   Chukwuemeka Okoye
  • [Wien] Spin polarised optical calculation with spin orbit   Fred Nastos
    • [Wien] Spin polarised optical calculation with spin orbit   Chukwuemeka Okoye
      • [Wien] Spin polarised optical calculation with spin orbit   Fred Nastos
• [Wien] Creating *.klist_band manually   Rezaei Behrooz
• [Wien] Why only w2web can't be compared using PGI 5.0?   Luo Xiaoguang
  • [Wien] Why only w2web can't be compared using PGI 5.0?   Stefaan Cottenier
• [Wien] Creating *.klist_band manually   badis bennacer
• [Wien] the transformation of space group C2/c for nitrate Calcium Ca(NO3)2.2H2O   Bing Zhou
• [Wien] LAPW0   fabella
  • [Wien] LAPW0   Torsten Andersen
  • [Wien] LAPW0   georg at chem.au.dk
• [Wien] Error in parallel mode   Mahmoud Payami
• [Wien] Problem of mini   yulihua-wh at sohu.com
  • [Wien] Problem of mini   L. D. Marks
• [Wien] LAPW0 (LM list)   fabella
  • [Wien] LAPW0 (LM list)   georg at chem.au.dk
• [Wien] Problem of mini   yulihua-wh at sohu.com
• [Wien] error in k-point parallel execution   Mahmoud Payami
  • [Wien] error in k-point parallel execution   Torsten Andersen
    • [Wien] error in k-point parallel execution   Mahmoud Payami
      • [Wien] error in k-point parallel execution   Torsten Andersen
      • [Wien] error in k-point parallel execution   Mahmoud Payami
      • [Wien] error in k-point parallel execution   C J Kenneth Tan -- OptimaNumerics
      • [Wien] error in k-point parallel execution   Torsten Andersen
      • [Wien] error in k-point parallel execution   Mahmoud Payami
      • [Wien] error in k-point parallel execution   Stefaan Cottenier
      • [Wien] error in k-point parallel execution   Torsten Andersen
      • [Wien] error in k-point parallel execution   Mahmoud Payami
      • [Wien] error in k-point parallel execution   Torsten Andersen
• [Wien] case.in2 missing, how to generate it?   Yang, Jinbo
  • [Wien] case.in2 missing, how to generate it?   Javad Hashemifar
  • [Wien] case.in2 missing, how to generate it?   Fred Nastos
  • [Wien] case.in2 missing, how to generate it?   Torsten Andersen
• [Wien] etest: Subscript out of range. ??????   jey jau lee
  • [Wien] etest: Subscript out of range. ??????   Stefaan Cottenier
  • [Wien] etest: Subscript out of range. ??????   Torsten Andersen
    • [Wien] etest: Subscript out of range. ??????   jey jau lee
  • [Wien] etest: Subscript out of range. ??????   Marco Schowalter
• [Wien] M-edge in EELS   M.Y.Wu
• [Wien] case.in2 missing, how to generate it?   Yang, Jinbo
• [Wien] P and H differences   Franco Jona
• Fw: [Wien] error in k-point parallel execution   Mahmoud Payami
• [Wien] running error after using 100atomfix_lapw   Yang, Jinbo
  • [Wien] running error after using 100atomfix_lapw   Stefaan Cottenier
• [Wien] running error after using 100atomfix_lapw   Yang, Jinbo
• [Wien] MINI :WARNING   Jack London
  • [Wien] MINI :WARNING   L. D. Marks
• [Wien] Need help about compiling   Daniel Zhu
  • [Wien] Need help about compiling   Lena Fitting
• [Wien] Updating and Installing PORT for Structure Optimization   krutibas panda
  • [Wien] Updating and Installing PORT for Structure Optimization   Torsten Andersen
• [Wien] xcrysden requires x windows system   Rezaei Behrooz
• [Wien] MINI :WARNING   Jack London
  • [Wien] MINI :WARNING   L. D. Marks
• [Wien] q re: 'local coordinates' and px, py, pz   Cormac McGuinness
  • [Wien] q re: 'local coordinates' and px, py, pz   Stefaan Cottenier
    • [Wien] q re: 'local coordinates' and px, py, pz   Cormac McGuinness
      • [Wien] about the near edge x-ray absorption spectrum   Yushan Wang
      • [Wien] about the near edge x-ray absorption spectrum   Vera Zhuang
      • [Wien] about the near edge x-ray absorption spectrum   Yushan Wang
      • [Wien] about the near edge x-ray absorption spectrum   Vera Zhuang
      • [Wien] about the near edge x-ray absorption spectrum   Yushan Wang
      • [Wien] about the near edge x-ray absorption spectrum   Vera Zhuang
      • [Wien] about the near edge x-ray absorption spectrum   Philippe Moreau
      • [Wien] about the near edge x-ray absorption spectrum   Yushan Wang
      • [Wien] about the near edge x-ray absorption spectrum   Philippe Moreau
      • [Wien] about the near edge x-ray absorption spectrum   Yushan Wang
• [Wien] cfg   R.K.Thapa
• [Wien] Band Gap problem   Rezaei Behrooz
• [Wien] Thanks   Rezaei Behrooz
• [Wien] supercell struct   Rezaei Behrooz

Last message date: Sat Jul 31 07:19:43 CEST 2004
Archived on: Wed Jul 6 14:14:17 CEST 2005

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