August 2006 Archives by subject

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Starting: Tue Aug 1 16:51:04 CEST 2006
Ending: Thu Aug 31 20:35:13 CEST 2006
Messages: 147

• [Wien] 'pieczoelectric coefficient'   MoonfalL
• [Wien] (no subject)   Mohammad mmt
• [Wien] (no subject)   raphael godoffe
• [Wien] (no subject)   Thomas Claesson
• [Wien] [SPAM?] Problems in optimizing caculating of TiH2 with wien2k   wchunxia_68
• [Wien] [wien2k] about surface simulations ( electric charge density plot)   MoonfalL
• [Wien] [WIEN]a problem on "x irrep -so"   Jiang Jun
• [Wien] [WIEN]a problem on "x irrep -so"   Jiang Jun
• [Wien] [WIEN]a problem on "x irrep -so"   Peter Blaha
• [Wien] A Strange DOS Problem   jingyun_1984 at sohu.com
• [Wien] A Strange DOS Problem   jingyun_1984 at sohu.com
• [Wien] A Strange DOS Problem   Saeid Jalali
• [Wien] about Boltz Trap installation   Amin Babazadeh
• [Wien] about Boltz Trap installation   georg at chem.au.dk
• [Wien] about Boltz Trap installation   Amin Babazadeh
• [Wien] about Boltz Trap installation   Amin Babazadeh
• [Wien] about dielectric coefficient   MoonfalL
• [Wien] about MATRIX size and RMT   MoonfalL
• [Wien] about MATRIX size and RMT   L. D. Marks
• [Wien] About VBM (band struct)   Guan Pengfei
• [Wien] About VBM(here is the band plotting)   Guan Pengfei
• [Wien] aim critical points   John Appleton
• [Wien] Bandstructure plotting with character in a spin-polarized case   Thomas Claesson
• [Wien] Bandstructure plotting with character in a spin-polarized case   Peter Blaha
• [Wien] Bandstructure plotting with character in a spin-polarized case   Thomas Claesson
• [Wien] Choice of exchange correlation-potential for LDA+U   Thomas Claesson
• [Wien] Choice of exchange correlation-potential for LDA+U   Saeid Jalali
• [Wien] Choice of exchange correlation-potential for LDA+U   Thomas Claesson
• [Wien] Choice of exchange correlation-potential for LDA+U   Peter Blaha
• [Wien] Choice of exchange correlation-potential for LDA+U   Gerhard Fecher
• [Wien] clmsum error!   Arin
• [Wien] compile with ifort9 + mkl8 on W2K_06   hiromasa_kaibe at komatsu.co.jp
• [Wien] compile with ifort9 + mkl8 on W2K_06   Michael Gurnett
• [Wien] compile with ifort9 + mkl8 on W2K_06   XU ZUO
• [Wien] Conroe benchmarks   Michael Gurnett
• [Wien] data sheet of energy vs. K-points   Mohammad mmt
• [Wien] data sheet of energy vs. K-points   Fred Nastos
• [Wien] Delta(d) from :QTL's corresponded to :PCS's   Saeid Jalali
• [Wien] Delta(d) from :QTL's corresponded to :PCS's   Peter Blaha
• [Wien] Dielectric functions of semiconductor   Guan Pengfei
• [Wien] electron density plot   Chandrika
• [Wien] error in init phonon lapw calculations with 3x3x3 supercell   Chandrika
• [Wien] error in init phonon lapw calculations with 3x3x3 supercell   Peter Blaha
• [Wien] Fortran90 on Mac OSX   jadhikari at clarku.edu
• [Wien] Fortran90 on Mac OSX   Saeid Jalali
• [Wien] FW: PostDoc Opening   Su, Haibin (Asst Prof)
• [Wien] Highest performance within Opteron   Saeid Jalali
• [Wien] Highest performance within Opteron   Michael Gurnett
• [Wien] Highest performance within Opteron   Tobias Burnus
• [Wien] How to deal with partial occupancy?   Arin
• [Wien] How to estimate the values of $delay and $sleepy in k-point parallelization?   XU ZUO
• [Wien] internal parameters   hazem salem
• [Wien] internal parameters   Saeid Jalali
• [Wien] Invalid atomic configuration in lstart   Shu Miao
• [Wien] Invalid atomic configuration in lstart   Saeid Jalali
• [Wien] Invalid atomic configuration in lstart   Stefaan Cottenier
• [Wien] k-point parallel job in distributed file system   Ravindran Ponniah
• [Wien] k-point parallel job in distributed file system   XU ZUO
• [Wien] k-point parallel job in distributed file system   Stefaan Cottenier
• [Wien] k-point parallel job in distributed file system   XU ZUO
• [Wien] k-point parallel job in distributed file system   Joachim Luitz
• [Wien] k-point parallel job in distributed file system   L. D. Marks
• [Wien] k-point parallel job in distributed file system   B. Yanchitsky
• [Wien] k-point parallel job in distributed file system   B. Yanchitsky
• [Wien] k-point parallel job in distributed file system   XU ZUO
• [Wien] k-point parallel job in distributed file system   XU ZUO
• [Wien] k-point parallel job in distributed file system   XU ZUO
• [Wien] lapw1para   XU ZUO
• [Wien] lapw1para   XU ZUO
• [Wien] lapw1para   XU ZUO
• [Wien] lapw2 segmentation fault   白宇
• [Wien] lapw2 segmentation fault   Gerhard Fecher
• [Wien] libvml   E B Lombardi
• [Wien] libvml   Gerhard Fecher
• [Wien] Min and Optimize   MoonfalL
• [Wien] Min and Optimize   MoonfalL
• [Wien] Min and Optimize   Peter Blaha
• [Wien] More accurate total energy with LSDA+U and lapwso   XU ZUO
• [Wien] need help in installation   Venkat Goruganti
• [Wien] need help in installation   Manish Singh
• [Wien] need help in installation   R.K.Thapa
• [Wien] Non-zero :EFG at cubic point group!   Saeid Jalali
• [Wien] Non-zero :EFG at cubic point group!   Stefaan Cottenier
• [Wien] Optic calculation   Guan Pengfei
• [Wien] Optic calculation   badis bennacer
• [Wien] optimize & mini for crystal lattice   钟国华
• [Wien] optimize & mini for crystal lattice   J. M. Rondinelli
• [Wien] optimize & mini for crystal lattice   Stefaan Cottenier
• [Wien] Output wave functions using lapw7   R.K.Thapa
• [Wien] Palladium calculations   L. D. Marks
• [Wien] problem in k-point parallel job at distributed file system   Peter Blaha
• [Wien] problem in k-point parallel job at distributed file system   Ravindran Ponniah
• [Wien] Problem in running k-point parallel jobs   Ravindran Ponniah
• [Wien] Problem in running k-point parallel jobs   Torsten Andersen
• [Wien] Problem in running k-point parallel jobs   Ravindran Ponniah
• [Wien] Problem in running lapwdm -up -p -so -c   Ravindran Ponniah
• [Wien] Problem in running lapwdm -up -p -so -c   Stefaan Cottenier
• [Wien] Problem with k-point parallel   XU ZUO
• [Wien] Problem with k-point parallel   Peter Blaha
• [Wien] problems in optimize   白宇
• [Wien] problems on optic and joint program   nilton at ufba.br
• [Wien] question   Momar Diakhate
• [Wien] question   Stefaan Cottenier
• [Wien] R0 parameter in case.struct   John Appleton
• [Wien] R0 parameter in case.struct   Saeid Jalali
• [Wien] sgroup (icc 8.1, 9.0 incompatible)   L. D. Marks
• [Wien] Slab covergence   MoonfalL
• [Wien] Slab covergence   Da Silva, Juarez
• [Wien] Space group not found   Iglesias Roberto
• [Wien] Space group not found   Peter Blaha
• [Wien] Space group not found   B. Yanchitsky
• [Wien] Space group not found   Iglesias Roberto
• [Wien] Space group not found   Iglesias Roberto
• [Wien] Space group not found   B. Yanchitsky
• [Wien] Space group not found (C compiler)   L. D. Marks
• [Wien] Space group not found (C compiler)   B. Yanchitsky
• [Wien] Space group not found...and dstart segmentation fault!   Roberto Iglesias
• [Wien] Space group not found...and dstart segmentation fault!   B. Yanchitsky
• [Wien] Space group not found...and dstart segmentation fault!   Roberto Iglesias
• [Wien] Spin-orbit calculation error in lapw2   priya
• [Wien] Spin-orbit calculation error in lapw2   Hua Wu
• [Wien] Spin-orbit calculation error in lapw2   Stefaan Cottenier
• [Wien] Spin-orbit calculation error in lapw2   priya
• [Wien] Spin-orbit calculation error in lapw2   Saeid Jalali
• [Wien] sumrules empty!   Manish Singh
• [Wien] Surface simulation   MoonfalL
• [Wien] The TELNES errors in calculation Hf O23 edge in defective HfO2 supercell structure   Jorissen Kevin
• [Wien] The TELNES errors in calculation Hf O23 edge in defective HfO2 supercell structure   =?euc-kr?B?vue5zsij?=
• [Wien] The TELNES errors in calculation Hf O23 edge indefective HfO2 supercell structure   Jorissen Kevin
• [Wien] userconfig on tcsh shell   E B Lombardi
• [Wien] userconfig on tcsh shell   Peter Blaha
• [Wien] userconfig on tcsh shell   EB Lombardi
• [Wien] Version 6.4   Peter Blaha
• [Wien] very slow SCF convergence   Mahbube Hortamani
• [Wien] very slow SCF convergence   Laurence Marks
• [Wien] Warning in LAPW2   Roberto Iglesias
• [Wien] Warning in LAPW2   Saeid Jalali
• [Wien] Warning in LAPW2   Peter Blaha
• [Wien] Warning in LAPW2   Roberto Iglesias
• [Wien] Which time is relevant in the benchmark list ?   raphael godoffe
• [Wien] Which time is relevant in the benchmark list ?   Peter Blaha
• [Wien] Which time is relevant in the benchmark list ?   raphael godoffe
• [Wien] Would PDOS always align with the one shown in TDOS?   段鹤
• [Wien] Would PDOS always align with the one shown in TDOS?   H. Duan
• [Wien] Would PDOS always align with the one shown in TDOS?   Saeid Jalali
• [Wien] Wu-Cohen XC functional   Claudio Cazorla Silva
• [Wien] Wu-Cohen XC functional   Peter Blaha

Last message date: Thu Aug 31 20:35:13 CEST 2006
Archived on: Thu Aug 31 20:36:04 CEST 2006

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