February 2008 Archives by thread

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Starting: Mon Feb 4 06:38:45 CEST 2008
Ending: Fri Feb 29 14:17:31 CEST 2008
Messages: 151

• [Wien] Formation energy + some other queries!   Nandan Tandon
• [Wien] Formation energy + some other querries!   Nandan Tandon
  • [Wien] Formation energy + some other querries!   Peter Blaha
    • [Wien] Formation energy + some other querries!   Nandan Tandon
      • [Wien] Formation energy + some other querries!   Stefaan Cottenier
      • [Wien] Formation energy + some other querries!   rcais at cal3.vsnl.net.in
      • [Wien] Formation energy + some other querries!   Nandan Tandon
      • [Wien] Formation energy + some other querries!   XU ZUO
      • [Wien] Formation energy + some other querries!   Stefaan Cottenier
      • [Wien] Formation energy + some other querries!   Gerhard Fecher
      • [Wien] Formation energy + some other querries!   Stefaan Cottenier
      • [Wien] Formation energy + some other querries!   Gerhard Fecher
      • [Wien] Formation energy + some other querries!   Gilles Hug
      • [Wien] Formation energy + some other querries!   Chandrika
      • [Wien] Formation energy + some other querries!   Nandan Tandon
• [Wien] wave function   fatemeh.mirjani
• [Wien] SP-SSM 2008 - Abstract submission deadline   David Holec
• [Wien] optical properties   ali hamidani
• [Wien] I need help in alpha parameter selecting in EECE method.   Hamid Abbaszadeh Peivasti
• [Wien] Wien2k compilation on IBM Power 5+   Dr. Natalia Pavlenko
• [Wien] looking for a struct.cif file   Z.Insepov
• [Wien] struct file   Igor Djerdj
• [Wien] About K-points   swarup saha
• [Wien] Problem with EnE convergence in S-O Calculation for the Chalcopyrite compound   Tarik Ouahrani
  • [Wien] Problem with EnE convergence in S-O Calculation for the Chalcopyrite compound   Stefaan Cottenier
    • [Wien] Problem with EnE convergence in S-O Calculation for the Chalcopyrite compound   Tarik Ouahrani
      • [Wien] Problem with EnE convergence in S-O Calculation for the Chalcopyrite compound   Stefaan Cottenier
      • [Wien] Problem with EnE convergence in S-O Calculation for the Chalcopyrite compound   Tarik Ouahrani
• [Wien] my strut and in1 file   Tarik Ouahrani
• [Wien] my strut and in1 file   Tarik Ouahrani
• [Wien] struct file   Igor Djerdj
  • [Wien] struct file   Peter Blaha
  • [Wien] struct file   Ricardo Faccio
• [Wien] optimization problem in a S-O case   Tarik Ouahrani
  • [Wien] optimization problem in a S-O case   Stefaan Cottenier
    • [Wien] optimization problem in a S-O case   Tarik Ouahrani
• [Wien] what does I use B3PW91 in WIEN2k?   Hamid Abbaszadeh Peivasti
• [Wien] Installing Wien2k_08 on Mac: library not found for-lmkl_lapack64   Tomohiko Tasaka
• [Wien] lapw2c run-time error (with suggested code correction)   Michal Wierzbicki
  • [Wien] lapw2c run-time error (with suggested code correction)   Peter Blaha
• [Wien] charge density difference   hazem salem
  • [Wien] wien2k_08 (warning during compilation)   Udai Verma
• [Wien] input conversion error in QTL calculation   明文美
  • [Wien] input conversion error in QTL calculation   Peter Blaha
• [Wien] Aim problem   Mireille LONTSI FOMENA
• [Wien] Compilation Wien2k 08: no makefile found in SRC_structeditor/   Oleg Rubel
• [Wien] Energy-resolved atomic density from LSTART   Thomas Claesson
  • [Wien] Mixer: compilation error (IBM AIX Pwr5, XLF90)   Ricardo Faccio
    • [Wien] Mixer: compilation error (IBM AIX Pwr5, XLF90)   Sylvain Cristol
      • [Wien] Mixer: compilation error (IBM AIX Pwr5, XLF90)   Ricardo Faccio
  • [Wien] Energy-resolved atomic density from LSTART   Peter Blaha
• [Wien] Segmentation fault in lapw2 using IFORT 10.1.x   Florent Boucher
  • [Wien] problem in ORB using IFORT 10.1.x   Rossitza Pentcheva
    • [Wien] problem in ORB using IFORT 10.1.x   Gerhard Fecher
• [Wien] Are fractionally charged atoms possible in Wien2k?   Oleg Rubel
  • [Wien] Are fractionally charged atoms possible in Wien2k?   Stefaan Cottenier
    • [Wien] :WARNING you might have inconsistent Forces/Energies   Ravindran Ponniah
      • [Wien] :WARNING you might have inconsistent Forces/Energies   Ravindran Ponniah
      • [Wien] :WARNING you might have inconsistent Forces/Energies   Peter Blaha
    • [Wien] Are fractionally charged atoms possible in Wien2k? / Thank you   Oleg Rubel
• [Wien] runsp_lapw following afm_lapw   Wenmei
  • [Wien] runsp_lapw following afm_lapw   Stefaan Cottenier
    • [Wien] runsp_lapw following afm_lapw   Gerhard Fecher
• [Wien] Lapw1 error   Dima Vingurt
  • [Wien] Lapw1 error   Peter Blaha
    • [Wien] Lapw1 error   Lyudmila Dobysheva
• [Wien] Error in case.in0 (H-mode)   Hamid Abbaszadeh Peivasti
  • [Wien] Error in case.in0 (H-mode)   Peter Blaha
• [Wien] problem with "isolated band" in super cell calculation   Dong Su
  • [Wien] problem with "isolated band" in super cell calculation   Stefaan Cottenier
• [Wien] problem in analysis function   Dong Su
  • [Wien] problem in analysis function   Stefaan Cottenier
• [Wien] Optical properties   ali hamidani
  • [Wien] Optical properties   Igor Djerdj
    • [Wien] Optical properties   Rocquefelte
• [Wien] problem in analysis function & problem with "isolated band" in super cell   Dong Su
  • [Wien] problem in analysis function & problem with "isolated band" in super cell   Stefaan Cottenier
• [Wien] Indium EFG   Sergio Yanuen Rodriguez
  • [Wien] Indium EFG   Stefaan Cottenier
    • [Wien] Indium EFG   Sergio Yanuen Rodriguez
• [Wien] lapw2 for TELNES.2   oyama
• [Wien] What is changed in WIEN2k_8.1?   Hamid Abbaszadeh Peivasti
  • [Wien] What is changed in WIEN2k_8.1?   Ricardo Faccio
    • [Wien] What is changed in WIEN2k_8.1?   Hamid Abbaszadeh Peivasti
• [Wien] x opticc - so error!!   Tarik Ouahrani
• [Wien] anatase   zhchwsd at 163.com
  • [Wien] anatase   Hong Jiang
    • [Wien] anatase   Laurence Marks
• [Wien] lapw2 error - segmentation fault   Wilfried Sigle
  • [Wien] lapw2 error - segmentation fault   Florent Boucher
  • [Wien] lapw2 error - segmentation fault   Ricardo Faccio
• [Wien] Help   Kadkhodazadeh, Shima
  • [Wien] Help   Peter Blaha
• [Wien] problem in finding the right space group of a super cell   Dong Su
  • [Wien] problem in finding the right space group of a super cell   B. Yanchitsky
• [Wien] anatase structure   zhchwsd at 163.com
• [Wien] atoms lose and dstart failed in a large unit cell   Dong Su
  • [Wien] atoms lose and dstart failed in a large unit cell   Peter Blaha
• [Wien] file case.in2 not found   Dima Vingurt
  • [Wien] file case.in2 not found   Stefaan Cottenier
• [Wien] Undefined references when compiling WIEN2k_08.1 with mkl 10   Oleg Rubel
  • [Wien] Undefined references when compiling WIEN2k_08.1 with mkl 10   Florent Boucher
  • [Wien] Undefined references when compiling WIEN2k_08.1 with mkl 10   Lyudmila Dobysheva
    • [Wien] Undefined references when compiling WIEN2k_08.1 with mkl 10 / Error is gone   Oleg Rubel
  • [Wien] Undefined references when compiling WIEN2k_08.1 with mkl 10   Gerhard Fecher
• [Wien] atoms lose and dstart failed in a large unit cell   Dong Su
  • [Wien] atoms lose and dstart failed in a large unit cell   Peter Blaha
• [Wien] problem in analysis function   Dong Su
• [Wien] please disregard my last e-mail about Re: problem in analysis function   Dong Su
• [Wien] why some k-points are not treated by irrep?   katrusiat
  • [Wien] why some k-points are not treated by irrep?   Peter Blaha
• [Wien] Lapw1 error   Dima Vingurt
• [Wien] incorrect DOS   Manish Singh
  • [Wien] incorrect DOS   Hong Jiang
    • [Wien] incorrect DOS   Manish Singh
      • [Wien] incorrect DOS   Stefaan Cottenier
• [Wien] NaCl Phonon calculations   Sergio Yanuen Rodriguez
  • [Wien] NaCl Phonon calculations   Chandrika
  • [Wien] NaCl Phonon calculations   Marco Schowalter
  • [Wien] NaCl Phonon calculations   Peter Blaha
    • [Wien] questions about electron density plot   Hong Jiang
      • [Wien] questions about electron density plot   Peter Blaha
• [Wien] Wyckoff & Anatase   zhchwsd at 163.com
  • [Wien] Wyckoff & Anatase   Florent Boucher
• [Wien] lapwso error   Cara Watson
• [Wien] For Professor Blaha   Nandan Tandon
• [Wien] Wien Digest, Vol 34, Issue 3   Kamal Hadidi
• [Wien] compile error   fatemeh.mirjani
• [Wien] Again "Invalid null command"   Lyudmila Dobysheva
  • [Wien] Again "Invalid null command"   Laurence Marks
  • [Wien] Again "Invalid null command"   Peter Blaha
    • [Wien] Again "Invalid null command"   Lyudmila Dobysheva
• [Wien] WIEN2k_08 - precompiled binaries - problem with lstart   Cormac McGuinness
  • [Wien] Reg. Rkmax and K point   Santhy Jaiker
    • [Wien] Reg. Rkmax and K point   Stefaan Cottenier
      • [Wien] Reg. Rkmax and K point   Santhy Jaiker
      • [Wien] Reg. Rkmax and K point   Gerhard Fecher
      • [Wien] Reg. Rkmax and K point   Stefaan Cottenier
      • [Wien] Reg. Rkmax and K point   Santhy Jaiker
      • [Wien] shell script   Santhy Jaiker
      • [Wien] shell script   Stefaan Cottenier
      • [Wien] shell script   Gerhard Fecher
      • [Wien] shell script   Santhy Jaiker
  • [Wien] WIEN2k_08 - precompiled binaries - problem with lstart   Peter Blaha
• [Wien] Problems with lapw1_mpi: Could not convert index 1140850688 into a pointer   Oleg Rubel
  • [Wien] Problems with lapw1_mpi: Could not convert index 1140850688 into a pointer   Oleg Rubel
    • [Wien] Problems with lapw1_mpi: Could not convert index 1140850688 into a pointer   Peter Blaha
      • [Wien] Problems with lapw1_mpi: Could not convert index 1140850688 into a pointer   Oleg Rubel
• [Wien] lapw1cpara script WIEN2k_08.1   aurelio
  • [Wien] lapw1cpara script WIEN2k_08.1   Peter Blaha
• [Wien] about a library error of "analyse_phonon_lapw" in WIEN2k_07   lfhuang at theory.issp.ac.cn

Last message date: Fri Feb 29 14:17:31 CEST 2008
Archived on: Fri Feb 29 14:20:09 CEST 2008

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