February 2005 Archives by thread

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Starting: Tue Feb 1 00:05:34 CEST 2005
Ending: Mon Feb 28 19:57:15 CEST 2005
Messages: 239

• [Wien] AIM: charge-integration   L. D. Marks
  • [Wien] AIM: charge-integration   Antoine Villesuzanne
• [Wien] Problem running lapw1c_mpi   Nandan Tandon
• [Wien] WIEN2k05   Peter Blaha
• [Wien] space group with more than one origin choice   Hyunjin Ko
  • [Wien] space group with more than one origin choice   Peter Blaha
• [Wien] Electric Field Gradient in case.scf_mini   Peter Blaha
  • [Wien] Electric Field Gradient in case.scf_mini   saeid jalali
• [Wien] Impurity Band   mkhsabra at aec.org.sy
  • [Wien] Impurity Band   saeid jalali
• [Wien] ELNES   M.-Y.Wu
• [Wien] ELNES   Jorissen Kevin
  • [Wien] ELNES   M.Y.Wu
• [Wien] nn problem   Chandrika
  • [Wien] nn problem   saeid jalali
  • [Wien] nn problem   Ong Phuong Khuong
    • [Wien] nn problem   Chandrika
• [Wien] error in FSM calculation   Sergio L. Palacios Diaz
  • [Wien] error in FSM calculation   saeid jalali
    • [Wien] error in FSM calculation   Antoine Villesuzanne
    • [Wien] error in FSM calculation   Antoine Villesuzanne
    • [Wien] error in FSM calculation   Sergio L. Palacios Diaz
      • [Wien] error in FSM calculation   saeid jalali
      • [Wien] error in FSM calculation   Sergio L. Palacios Diaz
      • [Wien] error in FSM calculation   saeid jalali
• [Wien] WIEN2k v.5.0   Travis Sefzik
  • [Wien] WIEN2k v.5.0   L. D. Marks
  • [Wien] WIEN2k v.5.0   Peter Blaha
    • [Wien] WIEN2k v.5.0   Michael Gurnett
• [Wien] LDA+U and muffin tin radii   Leonardo Pisani
• [Wien] small bug   Javier Daniel Fuhr
• [Wien] another bug   Javier Daniel Fuhr
  • [Wien] another bug   Peter Blaha
    • [Wien] another bug   Javier Daniel Fuhr
      • [Wien] Plane waves exhausted   Michael Gurnett
      • [Wien] Plane waves exhausted   saeid jalali
      • [Wien] Plane waves exhausted   Michael Gurnett
      • [Wien] Plane waves exhausted   saeid jalali
      • [Wien] Plane waves exhausted   Torsten Andersen
      • [Wien] about plotting via w2web   Karla D'Aloisio
      • [Wien] about plotting via w2web   buero at luitz.at
• [Wien] R4 ,R2, R, R-1, and R-3 in case.outputst?   Bin Deng
  • [Wien] R4 ,R2, R, R-1, and R-3 in case.outputst?   Peter Blaha
• [Wien] decomposed to Y_lm   Hua Wu
• [Wien] AIM: charge-integration   Jorissen Kevin
  • [Wien] AIM: charge-integration   Antoine Villesuzanne
• [Wien] AIM: charge-integration   Jorissen Kevin
• [Wien] Minor bug in lapw0para   L. D. Marks
• [Wien] ELNES   Jorissen Kevin
  • [Wien] ELNES   M.-Y.Wu
• [Wien] Re: Wien digest, Vol 1 #90 - 56 msgs   SENAPATI, Laxmidhar
  • [Wien] Re: Wien digest, Vol 1 #90 - 56 msgs   Stefaan Cottenier
• [Wien] Using LSDA+U for CeO2/NiO system   Craig Plaisance
  • [Wien] Using LSDA+U for CeO2/NiO system   saeid jalali
  • [Wien] Using LSDA+U for CeO2/NiO system   Stefaan Cottenier
• [Wien] mkl 7.2 for wien   Chandrika
  • [Wien] mkl 7.2 for wien   Michael Gurnett
• [Wien] the linear specific heat coefficient   Zahra Nourbakhsh
  • [Wien] the linear specific heat coefficient   Peter Blaha
• [Wien] Re: Wien digest, Vol 1 #91 - 38 msgs   SENAPATI, Laxmidhar
• [Wien] Ge 3d occupation number   Michael Gurnett
  • [Wien] Ge 3d occupation number follow up   Michael Gurnett
• [Wien] Ge 3d occupation number   Michael Gurnett
  • [Wien] what is the unit of the MMTOT   Yushan Wang
    • [Wien] what is the unit of the MMTOT   saeid jalali
      • [Wien] what is the unit of the MMTOT   Stefaan Cottenier
      • [Wien] what is the unit of the MMTOT   saeid jalali
• [Wien] problem generating case.in2_st, case.in2 and case.in1 files with initialization scripts   SENAPATI, Laxmidhar
  • [Wien] problem generating case.in2_st, case.in2 and case.in1 files with initialization scripts   saeid jalali
• [Wien] problem generating case.in2_st, case.in2 and case.in1 files with initialization scripts   Jorissen Kevin
  • [Wien] problem generating case.in2_st, case.in2 and case.in1 files with initialization scripts   saeid jalali
    • [Wien] problem generating case.in2_st, case.in2 and case.in1 files with initialization scripts   Stefaan Cottenier
      • [Wien] problem generating case.in2_st, case.in2 and case.in1 files with initialization scripts   saeid jalali
• [Wien] ELNES   Jorissen Kevin
  • [Wien] ELNES   Lyudmila Dobysheva
• [Wien] bandstructure Ene plotting   Michael Gurnett
• [Wien] lapw2 crashed in WIEN2k_05   stargmoon
• [Wien] EFG components   qatad samara
  • [Wien] EFG components   Lyudmila Dobysheva
• [Wien] what's the unit for eigenvert in case.outputc?thanks!   Bin Deng
• [Wien] Help on MPICH installation   maqsood at chep.pu.edu.pk
• [Wien] Compilation problems   Gurpreet Singh
  • [Wien] Compilation problems   saeid jalali
• [Wien] (1)Energy parameter (2) Core charge leakage   stargmoon
  • [Wien] (1)Energy parameter (2) Core charge leakage   Craig Plaisance
    • [Wien] (1)Energy parameter (2) Core charge leakage   stargmoon
• [Wien] charge density contribution from each band   armando at ccmc.unam.mx
  • [Wien] charge density contribution from each band   Andrzej Koleżyński
• [Wien] Questions about anatase TiO2   phedra phedra
• [Wien] error in lapw2   strutza at bgumail.bgu.ac.il
• [Wien] error in lapw2 (update)   Angelica
  • [Wien] error in lapw2 (update)   Torsten Andersen
    • [Wien] error in lapw2 (update)   Angelica
• [Wien] error in lapw2 (update)   Angelica
• [Wien] Questions about anatase TiO2   Jorissen Kevin
• [Wien] ifort8.1 and mkl7.0   ercan uçgun
  • [Wien] ifort8.1 and mkl7.0   Travis Sefzik
• [Wien] error in lapw2 (update)   Jorissen Kevin
• [Wien] RE:Question about anatase TiO2   phedra phedra
  • [Wien] RE:Question about anatase TiO2   Yushan Wang
• [Wien] How to calculate the reflectivity when calculating optical properties   phedra phedra
  • [Wien] How to calculate the reflectivity when calculating optical properties   Fred Nastos
• [Wien] Impurity level   mkhsabra at aec.org.sy
  • [Wien] Impurity level   Lyudmila Dobysheva
    • [Wien] Impurity level   mkhsabra at aec.org.sy
      • [Wien] Impurity level   Lyudmila Dobysheva
• [Wien] electron density plots   ali Saadi
  • [Wien] electron density plots   Leonardo Pisani
    • [Wien] electron density plots   ali Saadi
      • [Wien] electron density plots   Leonardo Pisani
• [Wien] Intel MKL 7.2   Jeff Spirko
• [Wien] Intel MKL 7.2   Jorissen Kevin
• [Wien] MAE calculation   yasuharu_shiraishi at fujifilm.co.jp
  • [Wien] MAE calculation   Torsten Andersen
• [Wien] Tetrahedral Symmetry   fabella
• [Wien] open core Ge 3d   Michael Gurnett
  • [Wien] open core Ge 3d   saeid jalali
• [Wien] [wien]How to define the El in Spin orbit coupling   anin Q
• [Wien] setrmt_lapw bug (with fix)   Jeff Spirko
• [Wien] Re:Question about anatase TiO2   phedra phedra
• [Wien] Re:How to calculate the reflectivity when calculating optical properties   phedra phedra
  • [Wien] Re:How to calculate the reflectivity when calculating optical properties   Fred Nastos
• [Wien] Possible bugs in Bandstructure   Michael Gurnett
  • [Wien] Possible bugs in Bandstructure   Torsten Andersen
    • [Wien] Possible bugs in Bandstructure   Michael Gurnett
• [Wien] problem in running lapwdm -so -up -p in WIEN2k_05   Guang-Yu Guo
• [Wien] A simple question   Benjamin C. Eimer
  • [Wien] A simple question   Peter Blaha
• [Wien] bugs in sumpara in WIEN2k_05   stargmoon
  • [Wien] bugs in sumpara in WIEN2k_05   Peter Blaha
    • [Wien] bugs in sumpara in WIEN2k_05   stargmoon
• [Wien] (no subject)   SENAPATI, Laxmidhar
  • [Wien] problem running tetra with spin orbit   SENAPATI, Laxmidhar
    • [Wien] problem running tetra with spin orbit   Lyudmila Dobysheva
• [Wien] RE: IBM Blue Gene   Andrew Scott
• [Wien] (no subject)   Jorissen Kevin
• [Wien] Allocation error 494   Rebecca Nicholls
  • [Wien] Allocation error 494   Michael Gurnett
    • Big Calculations (was [Wien] Allocation error 494)   L. D. Marks
      • Big Calculations (was [Wien] Allocation error 494)   Fred Nastos
      • Big Calculations (was [Wien] Allocation error 494)   L. D. Marks
  • [Wien] Allocation error 494   Torsten Andersen
    • [Wien] Allocation error 494   Rebecca Nicholls
  • [Wien] Allocation error 494   Dr. Sharat Chandra
• [Wien] Allocation error 494   Jorissen Kevin
• [Wien] optimization/minimization   Travis Sefzik
  • [Wien] optimization/minimization   Jeff Spirko
    • [Wien] optimization/minimization   Peter Blaha
• [Wien] RKMAX and k-mesh   Sergio L. Palacios Diaz
  • [Wien] RKMAX and k-mesh   Torsten Andersen
  • [Wien] RKMAX and k-mesh   Stefaan Cottenier
    • [Wien] RKMAX and k-mesh   Sergio L. Palacios Diaz
• [Wien] RKMAX and k-mesh   Jorissen Kevin
  • [Wien] (no subject)   Yushan Wang
    • [Wien] (no subject)   Travis Sefzik
  • [Wien] RKMAX and k-mesh   Sergio L. Palacios Diaz
• [Wien] info for Kevin Jorissen for problem in tetra   SENAPATI, Laxmidhar
  • [Wien] Re: info for Kevin Jorissen for problem in tetra   SENAPATI, Laxmidhar
• [Wien] How can I get the program PHONON   mongon at email.jlu.edu.cn
  • [Wien] How can I get the program PHONON   Torsten Andersen
  • [Wien] How can I get the program PHONON   Marco Schowalter
• [Wien] Re: info for Kevin Jorissen for problem in tetra   Jorissen Kevin
  • [Wien] Re: info for Kevin Jorissen for problem in tetra   Peter Blaha
• [Wien] wien - minimization/lapw2   Travis Sefzik
  • [Wien] wien - minimization/lapw2   Peter Blaha
• [Wien] charge leakage   stargmoon
• [Wien] charge leakage   stargmoon
• [Wien] equivalent-core approximation   Michael Gurnett
• [Wien] equivalent-core approximation   Jorissen Kevin
  • [Wien] SCF stops here, for why?   Yushan Wang
    • [Wien] SCF stops here, for why?   Peter Blaha
      • [Wien] Re: lapw2 missing   Michel Jaouen
      • [Wien] Re: lapw2 missing   L. D. Marks
      • [Wien] Re: lapw2 missing   Michel Jaouen
      • [Wien] Re: lapw2 missing   L. D. Marks
  • [Wien] equivalent-core approximation   Michael Gurnett
• [Wien] Partial Occupancy/Origin Shift   Travis Sefzik
• [Wien] Partial Occupancy/Origin Shift   Xavier.Rocquefelte at cnrs-imn.fr
  • [Wien] Partial Occupancy/Origin Shift   Travis Sefzik
• [Wien] SCF stops here, for why?   Jorissen Kevin
• [Wien] What is the meaning of GMAX and GMIN   Yu Xie
  • [Wien] What is the meaning of GMAX and GMIN   Torsten Andersen
• [Wien] equivalent-core approximation   Jorissen Kevin
  • [Wien] equivalent-core approximation   Michael Gurnett
    • [Wien] equivalent-core approximation   buero at luitz.at
      • [Wien] equivalent-core approximation   Michael Gurnett
    • [Wien] equivalent-core approximation   Peter Blaha
      • [Wien] equivalent-core approximation   Michael Gurnett
      • [Wien] equivalent-core approximation   L. D. Marks
      • [Wien] equivalent-core approximation   buero at luitz.at
      • [Wien] equivalent-core approximation   Michael Gurnett
      • [Wien] equivalent-core approximation   Peter Blaha
      • [Wien] How to install wien2k in two processors   Yushan Wang
      • [Wien] equivalent-core approximation   Michael Gurnett
      • [Wien] about parallel calculation,   Yushan Wang
      • [Wien] about parallel calculation,   Peter Blaha
• [Wien] Benchmarking Dual-CPU Nacoma (new Xeon's)   L. D. Marks
• [Wien] equivalent-core approximation   Jorissen Kevin
• [Wien] equivalent-core approximation   Jorissen Kevin
• [Wien] hands-on workshop in DFT calculations Oct.30-Nov. 5   Peter Blaha
• [Wien] supercell program   qatad samara
  • [Wien] supercell program   Torsten Andersen
• [Wien] error with nn   Chandrika
  • [Wien] error with nn   Andrea Salguero
  • [Wien] error with nn   Travis Sefzik
  • [Wien] error with nn   R.K.Thapa
• [Wien] wien2k_04, ifort 8.1, mkl 7.0 on suse 9.1   Lars Lykke
  • [Wien] wien2k_04, ifort 8.1, mkl 7.0 on suse 9.1   Torsten Andersen
  • [Wien] wien2k_04, ifort 8.1, mkl 7.0 on suse 9.1   Gerhard H Fecher
• Fw: [Wien] problem in running lapwdm -so -up -p in WIEN2k_05   Guang-Yu Guo
  • Fw: [Wien] problem in running lapwdm -so -up -p in WIEN2k_05   Peter Blaha
    • Fw: [Wien] problem in running lapwdm -so -up -p in WIEN2k_05   Guang-Yu Guo
      • Fw: [Wien] problem in running lapwdm -so -up -p in WIEN2k_05   saeid jalali
    • Fw: [Wien] problem in running lapwdm -so -up -p in WIEN2k_05   Guang-Yu Guo
      • Fw: [Wien] problem in running lapwdm -so -up -p in WIEN2k_05   saeid jalali
      • Fw: [Wien] problem in running lapwdm -so -up -p in WIEN2k_05   Peter Blaha
• [Wien] error with nn   Jorissen Kevin
  • [Wien] error with nn   Chandrika
    • [Wien] error with nn   Gerhard H Fecher
      • [Wien] error with nn   Chandrika
• [Wien] EELS calculations / articles published   buero at luitz.at
• [Wien] equivalent-core approximation   Jorissen Kevin
  • [Wien] equivalent-core approximation   Michael Gurnett
• [Wien] How to install wien2k in two processors   Jorissen Kevin
• [Wien] Partial Occupancy/Origin Shift   Xavier.Rocquefelte at cnrs-imn.fr
  • [Wien] Partial Occupancy/Origin Shift   Travis Sefzik
    • [Wien] Partial Occupancy/Origin Shift   Dr. Sharat Chandra
• [Wien] spaghetti for monoclinic CXZ   Arai Masao
• [Wien] Ghost band come from large charge fluctuation   liyh
  • [Wien] Ghost band come from large charge fluctuation   Peter Blaha
    • [Wien] to Pro.Blaha   Yushan Wang
• [Wien] open core and ferromagnetic calculation   Yongbin Lee
  • [Wien] open core and ferromagnetic calculation   Peter Blaha
• [Wien] about parallel calculation,   Jorissen Kevin
  • [Wien] about parallel calculation,   Yushan Wang
  • [Wien] about parallel calculation,   Yushan Wang
• [Wien] AFM calculation   Leonardo Pisani
• [Wien] about parallel calculation,   Jorissen Kevin
• [Wien] The structure factors   Marek Necas

Last message date: Mon Feb 28 19:57:15 CEST 2005
Archived on: Wed Jul 6 14:14:24 CEST 2005

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