June 2006 Archives by thread

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Starting: Thu Jun 1 10:31:39 CEST 2006
Ending: Thu Jun 29 16:54:36 CEST 2006
Messages: 195

• [Wien] LAPW2 looping indefinitely   Roberto Iglesias
  • [Wien] LAPW2 looping indefinitely   Torsten Andersen
    • [Wien] LAPW2 looping indefinitely   C J Kenneth Tan -- OptimaNumerics
      • [Wien] LAPW2 looping indefinitely   Roberto Iglesias
      • [Wien] LAPW2 looping indefinitely   Roberto Iglesias
      • [Wien] LAPW2 looping indefinitely   Roberto Iglesias
• [Wien] LDA+U asking again   Tulika Maitra
  • [Wien] LDA+U asking again   Pavel Novak
    • [Wien] LDA+U asking again   Tulika Maitra
      • [Wien] LDA+U asking again   Pavel Novak
• [Wien] How to use LDA+U?   zhylimin at sohu.com
  • [Wien] How to use LDA+U?   Stefaan Cottenier
• [Wien] How to use LDA+U?   zhylimin at sohu.com
  • [Wien] How to use LDA+U?   ahmad gharleghi
• [Wien] Problem with effective U calculation, solved   Ruben Weht
• [Wien] nfs problem   kongshi
  • [Wien] nfs problem   L. D. Marks
    • [Wien] nfs problem   B. Yanchitsky
• [Wien] [Nanomesh] NanoMesh Workshop: LAST CALL FOR ABSTRACTS (fwd)   Peter Blaha
• [Wien] A Warning in File( case.outputst)   Amin Babazadeh
  • [Wien] A Warning in File( case.outputst)   Stefaan Cottenier
• [Wien] about ENE   Amin Babazadeh
  • [Wien] about ENE   Stefaan Cottenier
    • [Wien] about ENE   Amin Babazadeh
      • [Wien] about ENE   Stefaan Cottenier
• [Wien] Force convergence within SCF cycle   Oleg Rubel
  • [Wien] Force convergence within SCF cycle   Stefaan Cottenier
    • [Wien] Force convergence within SCF cycle   Oleg Rubel
      • [Wien] Force convergence within SCF cycle   Stefaan Cottenier
      • [Wien] Force convergence within SCF cycle   Oleg Rubel
• [Wien] how to change the number of SCF cycles   白宇
  • [Wien] how to change the number of SCF cycles   Ricardo Faccio
• [Wien] Charge for spin-polarized case   John Appleton
  • [Wien] Charge for spin-polarized case   Peter Blaha
• [Wien] Re: Charge for spin-polarized case   John Appleton
  • [Wien] Re: Charge for spin-polarized case   Peter Blaha
• [Wien] Inviting you to participate in CITSA 2006   Ali Reshak
  • [Wien] Inviting you to participate in CITSA 2006   Dharmbir Singh
• [Wien] about Density Function for Hydrogen   Amin Babazadeh
  • [Wien] How to construct the struct file for the G-AFM   蔡 孟秋
  • [Wien] How to construct the struct file for the G-AFM   蔡 孟秋
  • [Wien] How to construct the struct file for the G-AFM   蔡 孟秋
• [Wien] error with DSTART   Souraya GOUMRI-SAID
• [Wien] Benchmark-Compilation options   Clazo Clazo
  • [Wien] Benchmark-Compilation options   Peter Blaha
    • [Wien] Benchmark-Compilation options   Martin Hilgeman
  • [Wien] Benchmark-Compilation options   Dr. Emilio Orgaz
    • de A. Valladares [Wien] Benchmark-Compilation options   Ariel A. Valladares C.
• [Wien] Basis set   John Appleton
  • [Wien] Basis set   Torsten Andersen
• [Wien] Wien2k for AMD Athlon   Natalia Pavlenko
  • [Wien] Wien2k for AMD Athlon   Torsten Andersen
    • [Wien] Wien2k for AMD Athlon   Natalia Pavlenko
      • [Wien] Wien2k for AMD Athlon   Dr.Bernhard Eck
      • [Wien] Wien2k for AMD Athlon   Gerhard H Fecher
      • [Wien] Wien2k for AMD Athlon is it 64 bit or not.   Gerhard H Fecher
  • [Wien] Wien2k for AMD Athlon   Peter Blaha
    • [Wien] Wien2k for AMD Athlon   Jeff Spirko
    • [Wien] Wien2k for AMD Athlon   Natalia Pavlenko
• [Wien] Wien2k for AMD Athlon   Martin Kroeker
• [Wien] exchange interaction   Souraya GOUMRI-SAID
  • AW: [Wien] exchange interaction   Gerhard Fecher
  • [Wien] exchange interaction   Pavel Novak
• [Wien] Basis type   John Appleton
  • [Wien] Basis type   Peter Blaha
• [Wien] minimun volume is too much different   =?iso-2022-jp?B?GyRCMiZaXxsoQg==?=
  • AW: [Wien] minimun volume is too much different   Gerhard Fecher
    • AW: [Wien] minimun volume is too much different   Michael Gurnett
• [Wien] How to use w2web   =?iso-2022-jp?B?GyRCQ2ZAPiEhOS88IRsoQg==?=
• AW: [Wien] minimun volume is too much different   =?iso-2022-jp?B?GyRCMiZaXxsoQg==?=
  • AW: [Wien] minimun volume is too much different   Michael Gurnett
• AW: [Wien] minimun volume is too much different   =?iso-2022-jp?B?GyRCMiZaXxsoQg==?=
  • AW: [Wien] minimun volume is too much different   Michael Gurnett
  • AW: [Wien] minimun volume is too much different   Gerhard Fecher
    • [Wien] problem of structure optimization by minimizing the forces   Bing Zhou
      • [Wien] problem of structure optimization by minimizing the forces   L. D. Marks
• [Wien] why my caculation of refracion and reflectivity are zero   白宇
• [Wien] Help me please!!!   Jack Stean
  • [Wien] Help me please!!!   L. D. Marks
  • [Wien] Help me please!!!   Saeid Jalali
  • [Wien] Help me please!!!   ahmad gharleghi
    • [Wien] Help me please!!!   Saeid Jalali
  • AW: [Wien] Help me please!!!   Gerhard Fecher
• [Wien] error on volume optimization   Bagher Ahmadi
  • [Wien] error on volume optimization   Gerhard H Fecher
  • [Wien] static linking   Gerhard H Fecher
    • [Wien] static linking   Peter Blaha
      • [Wien] static linking   Gerhard H Fecher
• [Wien] I want to judge whether my calculation have ghost band or not.   yasuharu_shiraishi at fujifilm.co.jp
  • [Wien] I want to judge whether my calculation have ghost band or not.   Peter Blaha
    • [Wien] I want to judge whether my calculation have ghost band or not.   yasuharu_shiraishi at fujifilm.co.jp
      • [Wien] I want to judge whether my calculation have ghost band or not.   Peter Blaha
      • [Wien] I want to judge whether my calculation have ghost band or not.   yasuharu_shiraishi at fujifilm.co.jp
    • [Wien] I want to judge whether my calculation have ghost band or not.   R.K.Thapa
      • [Wien] I want to judge whether my calculation have ghost band or not.   Saeid Jalali
• [Wien] total energy of indevudual atom for cohesion energy   youcef bouhadda
  • [Wien] total energy of indevudual atom for cohesion energy   Stefaan Cottenier
  • [Wien] total energy of indevudual atom for cohesion energy   L. D. Marks
• [Wien] A Question...   Jack Stean
  • [Wien] A Question...   R.K.Thapa
  • [Wien] A Question...   Torsten Andersen
  • [Wien] A Question...   Torsten Andersen
  • [Wien] A Question...   Gerhard H Fecher
  • [Wien] A Question...   Martin Pieper
• [Wien] Why is the calculated lattice volume only the half of the unit cell volume of CoSb3?   Z.J.
  • [Wien] Why is the calculated lattice volume only the half of the unit cell volume of CoSb3?   Stefaan Cottenier
    • [Wien] Why is the calculated lattice volume only the half of the unit cell volume of CoSb3?   Z.J.
• [Wien] Re: TELNES broadening   Andrew Scott
• [Wien] Re: TELNES broadening   Jorissen Kevin
  • [Wien] TELNES broadening   Joachim Luitz
• [Wien] Benchmark-Compilation options   Clazo Clazo
  • [Wien] Benchmark-Compilation options   Peter Blaha
    • [Wien] Benchmark-Compilation options   Martin Hilgeman
    • [Wien] Benchmark-Compilation options   Dr. Emilio Orgaz
• [Wien] Help me please   Jack Stean
  • [Wien] Help me please   L. D. Marks
  • [Wien] Help me please   Lyudmila Dobysheva
• [Wien] Find a -2.48Ry level for Ga 3d.   liyh
  • [Wien] Find a -2.48Ry level for Ga 3d.   Lyudmila Dobysheva
• [Wien] Benchmark-Compilation options   Clazo Clazo
• [Wien] optimised volume too large   Chandrika
• [Wien] total energy of indevudual atom for cohesion energy   youcef bouhadda
  • [Wien] total energy of indevudual atom for cohesion energy   Peter Blaha
• [Wien] NMATMAX   John Appleton
  • [Wien] NMATMAX   Peter Blaha
• [Wien] WIEN2k_06 executables   John Appleton
  • [Wien] WIEN2k_06 executables   Stefaan Cottenier
• [Wien] WIEN back-up   John Appleton
  • [Wien] WIEN back-up   Torsten Andersen
• [Wien] Difference Charge density in Spin-polarized calculation.   John Appleton
  • [Wien] Cobalt- Optimization   Sherif Yehia
    • [Wien] Cobalt- Optimization   Björn Hülsen
      • [Wien] Cobalt- Optimization   Sherif Yehia
• [Wien] userconfig_lapw problem   John Appleton
• [Wien] k-list has changed   John Appleton
• [Wien] SCF do not converge   =?gb2312?B?wO698NpTXChKaW55dW4gTGlcKQ==?=
  • [Wien] SCF do not converge   Torsten Andersen
• [Wien] optimised volume too large   白宇
  • [Wien] optimised volume too large   Chandrika
• [Wien] seperation energy   soran nabavi
  • [Wien] seperation energy   Stefaan Cottenier
• [Wien] Userconfig_lapw   John Appleton
• [Wien] Whis are the differences between the cohesive energy and the formation energy of a compound?   Z.J.
• [Wien] PLEASE HELP-Simulation of muliple element ELNES of binary composition materials   a s
  • [Wien] PLEASE HELP-Simulation of muliple element ELNES of binary composition materials   Philippe Moreau
• [Wien] Is the valure of cohesive energy correct for VSi2?   Colin
  • [Wien] Is the valure of cohesive energy correct for VSi2?   georg at chem.au.dk
    • [Wien] Is the valure of cohesive energy correct for VSi2?   Jian Zhu
      • [Wien] Is the valure of cohesive energy correct for VSi2?   georg at chem.au.dk
• [Wien] compliling warnig   Bagher Ahmadi
• [Wien] difference between two label   kong shi
• [Wien] position optimization, volume optimization?   =?euc-kr?B?vue5zsij?=
• [Wien] Wien Digest, Vol 14, Issue 4   soran nabavi
• [Wien] optimization   soran nabavi
  • [Wien] optimization   Ricardo Faccio
• [Wien] Help me please   管鹏飞
• [Wien] Problem with graphite space group   Chandrika
  • [Wien] Problem with graphite space group   Philippe Moreau
    • [Wien] Problem with graphite space group   Chandrika
  • [Wien] Problem with graphite space group   TPCwien at mklab.ph.rhul.ac.uk
    • [Wien] Problem with graphite space group   Chandrika
• [Wien] [Fwd: Re: lapwdm (bis)]   Torsten Andersen
• [Wien] Plot electron density   MoonfalL
  • [Wien] Plot electron density   Peter Blaha
• [Wien] FeO LDA+U   Ashley Alford
  • [Wien] FeO LDA+U   Peter Blaha
    • [Wien] FeO LDA+U   Rossitza Pentcheva
• [Wien] Fine grained parallelism without kpoint parallelism   Ashley Alford
  • [Wien] Fine grained parallelism without kpoint parallelism   Peter Blaha
• [Wien] an error in telnes2   Ruijuan Xiao
• [Wien] an error in telnes2   Jorissen Kevin
• [Wien] 'FERMI5' - error   hazem salem
  • [Wien] 'FERMI5' - error   Peter Blaha
• [Wien] phohtoemission   R.K.Thapa
  • [Wien] phohtoemission   Peter Blaha
• [Wien] Problems with lapw1_mpi in 64-bit   Roberto Iglesias
  • [Wien] Problems with lapw1_mpi in 64-bit   Peter Blaha
    • [Wien] Problems with lapw1_mpi in 64-bit   Iglesias Roberto
      • [Wien] Problems with lapw1_mpi in 64-bit   Peter Blaha
• [Wien] Bandstructure with character plotting   Thomas Claesson
  • [Wien] Bandstructure with character plotting   Peter Blaha
• [Wien] A general question on LDA+U   Thomas Claesson
• [Wien] Electron density differences   MoonfalL
  • [Wien] Electron density differences   Peter Blaha
• [Wien] calculation of electron-phonon coupling constant   Dr. Emilio Orgaz
  • [Wien] calculation of electron-phonon coupling constant   Peter Blaha
    • [Wien] calculation of electron-phonon coupling constant   Dr. Emilio Orgaz
• [Wien] Problem with Graphene 2D lattice   Jack Stean
• [Wien] same struct led to different result   kongshi
  • [Wien] same struct led to different result   Peter Blaha
  • [Wien] same struct led to different result   Torsten Andersen
• [Wien] same struct led to different result   kongshi
• [Wien] optization cmca   yavar taghipour
• [Wien] Projecting DOS onto cubic D-eg and D-t2g orbitals   Thomas Claesson
• [Wien] optimization command shell   ÇÍÓÇä ÚÑíÞÇÊ

Last message date: Thu Jun 29 16:54:36 CEST 2006
Archived on: Thu Jun 29 16:54:49 CEST 2006

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