September 2004 Archives by subject

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Starting: Wed Sep 1 02:38:03 CEST 2004
Ending: Thu Sep 30 17:08:35 CEST 2004
Messages: 251

[Wien] (111) plane in EL.DEN taiiebeh molarooy
[Wien] (111) plane in EL.DEN taiiebeh molarooy
[Wien] (111) plane in EL.DEN Stefaan Cottenier
[Wien] Dielectric function!! wien2k
[Wien] [Wien]problem with SCF cycle taiiebeh molarooy
[Wien] [Wien]problem with SCF cycle taiiebeh molarooy
[Wien] [Wien]problem with SCF cycle Stefaan Cottenier
[Wien] [Wien]problem with SCF cycle Torsten Andersen
[Wien] a question about the case.vns Zhou Taojun
[Wien] a question about the case.vns Zhou Taojun
[Wien] a question about the case.vns Peter Blaha
[Wien] a question about the case.vns taojun zhou
[Wien] about cif2struct WANG Yuan Xu
[Wien] about cif2struct georg at chem.au.dk
[Wien] about cif2struct WANG YX
[Wien] about compile on HITACHI WANG Yuan Xu
[Wien] about compile on HITACHI Torsten Andersen
[Wien] about compile on HITACHI Torsten Andersen
[Wien] about mini lu wei
[Wien] about mini Stefaan Cottenier
[Wien] about mini Peter Blaha
[Wien] advertisement: PhD position Stefaan Cottenier
[Wien] AlCu2 koitzsch
[Wien] AlCu2 Antoine Villesuzanne
[Wien] AlCu2 thomas.mazet
[Wien] antiferroelectric distortion arnaud.vasseur at caramail.com
[Wien] antiferroelectric distortion Andrei Postnikov
[Wien] antiferroelectric distortion arnaud.vasseur at caramail.com
[Wien] BFGS Warning Jack London
[Wien] BFGS Warning L. D. Marks
[Wien] BFGS Warning Jack London
[Wien] BFGS Warning L. D. Marks
[Wien] BFGS Warning Jack London
[Wien] Center of spin-inversion L. D. Marks
[Wien] compilation of wien2k_04 Ravindran Ponniah
[Wien] Compile error on mini WANG Yuan Xu
[Wien] Compile error on mini Torsten Andersen
[Wien] Compile error on mini WANG YX
[Wien] Compile error on mini WANG YX
[Wien] Compile error on mini Torsten Andersen
[Wien] Compile error on mini WANG YX
[Wien] Compile error on mini Torsten Andersen
[Wien] Compile error on mini WANG YX
[Wien] Convergence trouble with Spin Orbit calculation Kirk Feindel
[Wien] Convergence trouble with Spin Orbit calculation L. D. Marks
[Wien] density plot pitfall in Quick Start guide Steven Homolya
[Wien] density plot pitfall in Quick Start guide Peter Blaha
[Wien] Dielectric function!! Fred Nastos
[Wien] DSTART ERROR taiiebeh molarooy
[Wien] DSTART ERROR Jorissen Kevin
[Wien] ETA in PORT Jack London
[Wien] ETA in PORT L. D. Marks
[Wien] ETA in PORT Jack London
[Wien] ETA in PORT L. D. Marks
[Wien] external electronic fields L.Z. Sun
[Wien] external electronic fields Torsten Andersen
[Wien] external electronic fields L.Z. Sun
[Wien] external electronic fields Peter Blaha
[Wien] Fe(111) surface - LAPW0 error Sun Yiyang
[Wien] Fe(111) surface - LAPW0 error Torsten Andersen
[Wien] Fe(111) surface - LAPW0 error Sun Yiyang
[Wien] Fe(111) surface - LAPW0 error Torsten Andersen
[Wien] Fe(111) surface - LAPW0 error Sun Yiyang
[Wien] Fermi Energy Leonardo Pisani
[Wien] Fermi Energy Peer Kruse
[Wien] Fermi Energy Leonardo Pisani
[Wien] Fermi Energy Peer Kruse
[Wien] Fermi Energy Leonardo Pisani
[Wien] Fermi Energy Stefaan Cottenier
[Wien] Fermi Energy Peter Blaha
[Wien] Fermi Energy Steven Homolya
[Wien] Final State effects in core-levels Michael Gurnett
[Wien] final states and case.inc Michael Gurnett
[Wien] final states and case.inc Jorissen Kevin
[Wien] final states and case.inc Michael Gurnett
[Wien] Forces and atom coordinates Leonardo Pisani
[Wien] Forces and atom coordinates Stefaan Cottenier
[Wien] Forces and atom coordinates Valerio Bellini
[Wien] Forces and atom coordinates Rashid ahmed
[Wien] Forces and atom coordinates Rashid ahmed
[Wien] Forces and atom coordinates Rashid ahmed
[Wien] Forces and atom coordinates Rashid ahmed
[Wien] Fwd: help for slab Fred Nastos
[Wien] gold213.struct R.K.Thapa
[Wien] gold213.struct Stefaan Cottenier
[Wien] How close to overlapping RMT's is too close? L. D. Marks
[Wien] How close to overlapping RMT's is too close? Leonardo Pisani
[Wien] How close to overlapping RMT's is too close? Stefaan Cottenier
[Wien] How to construct struct file of supercell withR type lattice Peter Blaha
[Wien] How to construct struct file of supercell withR type lattice Hiroki Takahashi
[Wien] How to construct struct file of supercell withR type lattice Jorissen Kevin
[Wien] How to construct struct file of supercell withR type lattice Tsuyoshi Kajitani
[Wien] how to get the charge density at a certain point Yushan Wang
[Wien] how to get the charge density at a certain point Fred Nastos
[Wien] how to select input file (Edit Tic.in5) in EL.DEN taiiebeh molarooy
[Wien] How to select input file in EL.DEN taiiebeh molarooy
[wien] how to select input file in EL.DEN taiiebeh molarooy
[wien] how to select input file in EL.DEN taiiebeh molarooy
[wien] how to select input file in EL.DEN taiiebeh molarooy
[wien] how to select input file in EL.DEN taiiebeh molarooy
[Wien] joint error taiiebeh molarooy
[Wien] joint error Fred Nastos
[Wien] joint error Torsten Andersen
[Wien] joint error Peer Kruse
[Wien] lapw1 crashed Jack London
[Wien] lapw1 crashed Torsten Andersen
[Wien] lapw1 crashed Marco Schowalter
[Wien] lapw2para crashing L. D. Marks
[Wien] lapw2para crashing Peter Blaha
[Wien] lapw2para crashing L. D. Marks
[Wien] LDA+U forces L. D. Marks
[Wien] LDA+U forces Leonardo Pisani
[Wien] LDA+U forces Peter Blaha
[Wien] LDA+U forces Leonardo Pisani
[Wien] MacG5 Dr. B.R.Sahu
[Wien] MacG5 Jorissen Kevin
[Wien] magnetc moment Kulkova S.E.
[Wien] magnetc moment Andrei Postnikov
[Wien] MINI initialization fabella
[Wien] Mini NEWT and/or PORT - what precision can one expect? Torsten Andersen
[Wien] Mini NEWT and/or PORT - what precision can one expect? Stefaan Cottenier
[Wien] Mini NEWT and/or PORT - what precision can one expect? L. D. Marks
[Wien] Mini NEWT and/or PORT - what precision can one expect? L. D. Marks
[Wien] Mini NEWT and/or PORT - what precision can one expect? Peter Blaha
[Wien] Mini NEWT and/or PORT - what precision can one expect? Torsten Andersen
[Wien] Mini stop Leonardo Pisani
[Wien] Mini stop Michael Gurnett
[Wien] Mini stop Jorissen Kevin
[Wien] Mini stop Stefaan Cottenier
[Wien] Mini stop Peter Blaha
[Wien] missing electrons Abir De Sarkar
[Wien] missing electrons Peter Blaha
[Wien] MPI+SCALAPACK lapw1 error yuuichi_okamoto at fujifilm.co.jp
[Wien] narrow band at the Fermi level at large organic system Hailand
[Wien] narrow band at the Fermi level in larger organic system Yue Hai
[Wien] narrow band at the Fermi level in organic system Hailand
[Wien] narrow band at the Fermi level in organic system Andrei Postnikov
[Wien] nnn error in lapw1 EB Lombardi
[Wien] occupation electrons number of each band L.Z. Sun
[Wien] occupation electrons number of each band Abir De Sarkar
[Wien] occupation electrons number of each band Abir De Sarkar
[Wien] occupation electrons number of each band L.Z. Sun
[Wien] occupation electrons number of each band Torsten Andersen
[Wien] occupation electrons number of each band L.Z. Sun
[Wien] optic problem Dr. Sharat Chandra
[Wien] Parallel mini. positions Jingmin Zhang
[Wien] Parallel mini. positions Michael Gurnett
[Wien] Parallel mini. positions Jingmin Zhang
[Wien] parse error in w2web Ravindran Ponniah
[Wien] particl electron density ËïÉÙÈð
[Wien] particl electron density Jorissen Kevin
[Wien] PbTe struc files R.K.Thapa
[Wien] Phonon workshop Peter Blaha
[Wien] PORT warnings Torsten Andersen
[Wien] PORT warnings L. D. Marks
[Wien] Problem compiling supercell on hp machines Rebecca Nicholls
[Wien] Problem compiling supercell on hp machines Torsten Andersen
[Wien] Problem compiling supercell on hp machines Rebecca Nicholls
[Wien] problem with xcrysden strutza at bgumail.bgu.ac.il
[Wien] problem with xcrysden Michael Gurnett
[Wien] Q: symmetso - B type symmetries Eeuwe Zijlstra
[Wien] Q: symmetso - B type symmetries jan kunes
[Wien] Q: symmetso - B type symmetries Torsten Andersen
[Wien] QTL for 3d elements M.Y.Wu
[Wien] QTL for 3d elements Jorissen Kevin
[Wien] QTL-B VALUE arnaud.vasseur at caramail.com
[Wien] QTL-B VALUE Stefaan Cottenier
[Wien] QTL-B VALUE Torsten Andersen
[Wien] QTL-B VALUE arnaud.vasseur at caramail.com
[Wien] QTL-B VALUE arnaud.vasseur at caramail.com
[Wien] QTL-B VALUE Stefaan Cottenier
[Wien] QTL-B VALUE arnaud.vasseur at caramail.com
[Wien] QTL-B VALUE Torsten Andersen
[Wien] QTL-B VALUE arnaud.vasseur at caramail.com
[Wien] question Sun ShaoRui
[Wien] question Stefaan Cottenier
[Wien] question Jorissen Kevin
[Wien] question ËïÉÙÈð
[Wien] question Torsten Andersen
[Wien] questions ËïÉÙÈð
[Wien] questions Steven Steven Homolya
[Wien] questions arnaud.vasseur at caramail.com
[Wien] questions Stefaan Cottenier
[Wien] questions arnaud.vasseur at caramail.com
[Wien] RE: Why this case.struct doesn't have inversion operation? Sun Yiyang
[Wien] setup of slab calculation Fred Nastos
[Wien] setup of slab calculation Torsten Andersen
[Wien] setup of slab calculation Steven Homolya
[Wien] setup of slab calculation Fred Nastos
[Wien] SIC-LDA and/or calculate U L. D. Marks
[Wien] slab cal R.K.Thapa
[Wien] slab cal Stefaan Cottenier
[Wien] slab cal Fred Nastos
[Wien] small bug in opticpara_lapw Florent Boucher
[Wien] small organic molecules (12 atoms): ? convergence criteria and number of points Peter Blaha
[Wien] small organic molecules (12 atoms): ? convergence criteria and number of points Komolov
[Wien] small organic molecules (12 atoms): ? convergence criteria and number of points Jorissen Kevin
[Wien] structgen Travis Sefzik
[Wien] structgen Peter Blaha
[Wien] Structural deformation arnaud.vasseur at caramail.com
[Wien] supercell calc / impurities in V wiener at arcscluster.caltech.edu
[Wien] supercell calc / impurities in V Stefaan Cottenier
[Wien] supercell calc / impurities in V olivier at arcscluster.caltech.edu
[Wien] supercomputer Hamid Alaa
[Wien] supercomputer Peter Blaha
[Wien] surface generation arnaud.vasseur at caramail.com
[Wien] Surface Wavefunction Oscillating Chiung-Yuan Lin
[Wien] Surface Wavefunction Oscillating Peter Blaha
[Wien] TETRA: max number of K-points Nitya Nath
[Wien] TETRA: max number of K-points Giovanni Bertoni
[wien] third question Hamid Alaa
[wien] third question Stefaan Cottenier
[wien] third question Saeid Jalali
[wien] third question Torsten Andersen
[wien] third question Jorissen Kevin
[Wien] two versions R.K.Thapa
[Wien] two versions Torsten Andersen
[Wien] unit, volume and charge? Jack London
[Wien] unit, volume and charge? Jorissen Kevin
[Wien] unit, volume and charge? Peter Blaha
[Wien] Using Wien2k in teaching? L. D. Marks
[Wien] Using Wien2k in teaching? apu at veccal.ernet.in
[Wien] Vacncey mkhsabra at aec.org.sy
[Wien] Vacncey Stefaan Cottenier
[Wien] View Structure with XCrysDen Mahmoud Payami
[Wien] View Structure with XCrysDen Michael Gurnett
[Wien] View Structure with XCrysDen Mahmoud Payami
[Wien] View Structure with XCrysDen Mahmoud Payami
[Wien] View Structure with XCrysDen Michael Gurnett
[Wien] View Structure with XCrysDen Steven Steven Homolya
[Wien] w2web behind SSL Steven Homolya
[Wien] w2web behind SSL --- followup question Steven Homolya
[Wien] w2web behind SSL --- followup question buero at luitz.at
[Wien] w2web behind SSL --- followup question Steven Homolya
[Wien] what are the units of measurement of Kmax and Gmax in WIEN2k? (Artem Urubkov) auru
[Wien] what are the units of measurement of Kmax and Gmax in WIEN2k? (Artem Urubkov) Stefaan Cottenier
[Wien] what mesh (real space) is used in WIEN2k? (Artem Urubkov) auru
[Wien] what mesh (real space) is used in WIEN2k? (Artem Urubkov) Stefaan Cottenier
[Wien] Why this case.struct doesn't have inversion operation? Sun Yiyang
[Wien] WIEN2K NEW R.K.Thapa
[Wien] Work function of Fe(111) surface Sun Yiyang
[Wien] Work function of Fe(111) surface Peter Blaha
[Wien] ybco R.K.Thapa
[Wien] ybco Jorissen Kevin
[Wien] ybco R.K.Thapa
[Wien] ybco R.K.Thapa
[Wien] ybco Steven Homolya
[Wien] ybco Jorissen Kevin
[Wien] YBCO Struc. file R.K.Thapa
[Wien] YBCO Struc. file Torsten Andersen
[Wien] YBCO Struc. file Peter Blaha

Last message date: Thu Sep 30 17:08:35 CEST 2004
Archived on: Wed Jul 6 14:14:19 CEST 2005

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