April 2015 Archives by thread

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Starting: Wed Apr 1 09:10:06 CEST 2015
Ending: Thu Apr 30 17:31:28 CEST 2015
Messages: 180

• [Wien] ROTDEF - Error   bayarr temuujin
  • [Wien] ROTDEF - Error   Peter Blaha
  • [Wien] ROTDEF - Error   Lyudmila Dobysheva
  • [Wien] ROTDEF - Error   Temuujin Bayaraa
    • [Wien] ROTDEF - Error   Peter Blaha
      • [Wien] ROTDEF - Error   Temuujin Bayaraa
• [Wien] (no subject)   Peter Blaha
  • [Wien] (no subject)   Shakeel Khandy
    • [Wien] Pressure and elastic constants   Víctor Luaña Cabal
  • [Wien] (no subject)   Jiayi Wu
    • [Wien] [SPAM] (no subject)   李志
      • [Wien] [SPAM] (no subject)   Jiayi Wu
  • [Wien] (no subject)   Martin Kroeker
  • [Wien] (no subject)   Shakeel Khandy
    • [Wien] (no subject)   Víctor Luaña Cabal
      • [Wien] (no subject)   delamora
      • [Wien] (no subject)   Laurence Marks
  • [Wien] (no subject)   Laurence Marks
• [Wien] Reg. installation of Wien2k 14.2   Lyudmila Dobysheva
  • [Wien] Reg. installation of Wien2k 14.2   Dr. K. Balamurugan
• [Wien] Regarding lmax in wien2k   Mamta Chauhan
  • [Wien] Regarding lmax in wien2k   tran at theochem.tuwien.ac.at
    • [Wien] Regarding lmax in wien2k   Mamta Chauhan
• [Wien] 96 atom system runs lapw0 quickly, lapw1c running for days   David Olmsted
• [Wien] At least on the NSF supercomputer Trestles, the line "sleep $delay" in lapw1para_lapw should not be commented out   David Olmsted
• [Wien] Non-availability of non-commercial ifort   saurabh samant
• [Wien] Confusion after axes transformation   Dileep Krishnan
  • [Wien] Confusion after axes transformation   Peter Blaha
• [Wien] Optical graph of spin polarized system   Junaid Munir
  • [Wien] Optical graph of spin polarized system   Peter Blaha
• [Wien] x symmetry problem   ben amara imen
  • [Wien] x symmetry problem   Gavin Abo
• [Wien] Convergence tests   Ary Ferreira
  • [Wien] Convergence tests   tran at theochem.tuwien.ac.at
    • [Wien] Convergence tests   Ary Ferreira
      • [Wien] Convergence tests   Peter Blaha
• [Wien] Orientation Sensitive ELNES spectra   Hajar Nejati
  • [Wien] Orientation Sensitive ELNES spectra   Gavin Abo
    • [Wien] Orientation Sensitive ELNES spectra   Kevin Jorissen
      • [Wien] Orientation Sensitive ELNES spectra   Kevin Jorissen
• [Wien] multiplicity error in tetra.case while initializing cubic elastic code   Shakeel Khandy
• [Wien] Why is "sleep $delay" commented out in lapw1para_lapw?   David Olmsted
  • [Wien] Why is "sleep $delay" commented out in lapw1para_lapw?   Laurence Marks
    • [Wien] Why is "sleep $delay" commented out in lapw1para_lapw?   David Olmsted
      • [Wien] Why is "sleep $delay" commented out in lapw1para_lapw?   Peter Blaha
      • [Wien] Why is "sleep $delay" commented out in lapw1para_lapw?   David Olmsted
• [Wien] Free Intel Software Development Tools   Gavin Abo
  • [Wien] Free Intel Software Development Tools   saurabh samant
• [Wien] Questions about running WIEN2k with amorphous materials   YOOSOO YI
  • [Wien] Questions about running WIEN2k with amorphous materials   Lyudmila Dobysheva
• [Wien] Constructing supecells for mixed valencies metal ions   GHOSH Suddhasattwa
• [Wien] error in monoclinic optimization   wasim raja Mondal
  • [Wien] error in monoclinic optimization   wasim raja Mondal
    • [Wien] error in monoclinic optimization   Lyudmila Dobysheva
      • [Wien] error in monoclinic optimization   wasim raja Mondal
      • [Wien] error in monoclinic optimization   Lyudmila Dobysheva
      • [Wien] error in monoclinic optimization   wasim raja Mondal
      • [Wien] error in monoclinic optimization   Peter Blaha
      • [Wien] error in monoclinic optimization   Gavin Abo
      • [Wien] error in monoclinic optimization   Peter Blaha
• [Wien] Parallel computing   Ридный Ярослав Максимович
  • [Wien] Parallel computing   delamora
  • [Wien] Parallel computing   Laurence Marks
    • [Wien] Parallel computing   Laurence Marks
  • [Wien] Parallel computing   delamora
• [Wien] Diamond C 1s XPS   Alexander Martins
  • [Wien] Diamond C 1s XPS   Peter Blaha
• [Wien] C2/m (#SG 12) space group structure   Daniel Menendez
  • [Wien] C2/m (#SG 12) space group structure   Gavin Abo
    • [Wien] Fwd: C2/m (#SG 12) space group structure   Daniel Menendez
      • [Wien] Fwd: C2/m (#SG 12) space group structure   Peter Blaha
• [Wien] PhD position in Rennes, France with X. Rocquefelte   Peter Blaha
• [Wien] momentum matrix format   tahani alrebdi
• [Wien] Which fermi energy for XPS?   David Olmsted
  • [Wien] Which fermi energy for XPS?   Peter Blaha
    • [Wien] Which fermi energy for XPS?   David Olmsted
      • [Wien] Which fermi energy for XPS?   Peter Blaha
      • [Wien] Which fermi energy for XPS?   David Olmsted
      • [Wien] Which fermi energy for XPS?   Peter Blaha
    • [Wien] XPS is there a shift of fermi energy from core-hole? Can I estimate it?   David Olmsted
      • [Wien] XPS is there a shift of fermi energy from core-hole? Can I estimate it?   Peter Blaha
      • [Wien] XPS is there a shift of fermi energy from core-hole? Can I estimate it?   David Olmsted
    • [Wien] XPS is there a shift of fermi energy from core-hole? Can I estimate it?   Laurence Marks
      • [Wien] XPS is there a shift of fermi energy from core-hole? Can I estimate it?   David Olmsted
      • [Wien] XPS is there a shift of fermi energy from core-hole? Can I estimate it?   Laurence Marks
      • [Wien] XPS is there a shift of fermi energy from core-hole? Can I estimate it?   David Olmsted
• [Wien] Parallel running in ubuntu   delamora
  • [Wien] Parallel running in ubuntu   Víctor Luaña Cabal
    • [Wien] Parallel running in ubuntu   Lyudmila Dobysheva
      • [Wien] Parallel running in ubuntu   Víctor Luaña Cabal
• [Wien] t2g-eg splitting   Vijeta Singh
  • [Wien] t2g-eg splitting   Víctor Luaña Cabal
• [Wien] A question about the DOS of semi core state   Hu, Wenhao
  • [Wien] A question about the DOS of semi core state   Peter Blaha
  • [Wien] A question about the DOS of semi core state   Hu, Wenhao
    • [Wien] A question about the DOS of semi core state   Peter Blaha
• [Wien] how to generate supercell of 14 atoms   komal bapna
  • [Wien] how to generate supercell of 14 atoms   delamora
    • [Wien] how to generate supercell of 14 atoms   Fecher, Gerhard
      • [Wien] how to generate supercell of 14 atoms   delamora
    • [Wien] how to generate supercell of 14 atoms   Oleg Rubel
• [Wien] Mixer error   Daniel Menendez
  • [Wien] Mixer error   Laurence Marks
    • [Wien] Mixer error   Daniel Menendez
• [Wien] Question about symmetry of detector position in TELNES calculation   Atsushi Yamaguchi
  • [Wien] Question about symmetry of detector position in TELNES calculation   Kevin Jorissen
• [Wien] interstitial magnetic moment in AFM calculations   Yin, Weiguo
  • [Wien] interstitial magnetic moment in AFM calculations   Peter Blaha
    • [Wien] Value of the Hubbard U and Hund exchange J   delamora
      • [Wien] Value of the Hubbard U and Hund exchange J   tran at theochem.tuwien.ac.at
• [Wien] W2web is not running?????   Kalani Hettiarachchi
  • [Wien] W2web is not running?????   Gavin Abo
• [Wien] Force optimization is not converging for a spinel compound   shamik chakrabarti
  • [Wien] Force optimization is not converging for a spinel compound   Laurence Marks
    • [Wien] Force optimization is not converging for a spinel compound   shamik chakrabarti
• [Wien] Questions about the input file of LAPW1 (case.in1c)   YOOSOO YI
  • [Wien] Questions about the input file of LAPW1 (case.in1c)   Peter Blaha
• [Wien] runsp_lapw -so mixer.F error   Jiayi Wu
  • [Wien] runsp_lapw -so mixer.F error   Laurence Marks
• [Wien] w2web is not running??   Kalani Hettiarachchi
  • [Wien] w2web is not running??   Peter Blaha
    • [Wien] w2web is not running??   Gavin Abo
• [Wien] Fermi level   Ридный Ярослав Максимович
  • [Wien] Fermi level   delamora
    • [Wien] Fermi level   Fecher, Gerhard
      • [Wien] Fermi level   delamora
      • [Wien] Fermi level   Gavin Abo
• [Wien] AFM calculation-reg.   Murugan Sundareswari
• [Wien] supercell with 100 atoms   Mohammed Abujafar
• [Wien] Bad optimizations with MSR1a for non-centrosymmetric cases   Laurence Marks
• [Wien] Phonon calculation   Madesis Ioannis(John)
  • [Wien] Phonon calculation   Peter Blaha
  • [Wien] Phonon calculation   Madesis Ioannis(John)
    • [Wien] Phonon calculation   Víctor Luaña Cabal
    • [Wien] Phonon calculation   Peter Blaha
  • [Wien] Phonon calculation   Laurence Marks
  • [Wien] Phonon calculation   Madesis Ioannis(John)
  • [Wien] Phonon calculation   Madesis Ioannis(John)
    • [Wien] Phonon calculation   Madesis Ioannis(John)
  • [Wien] Phonon calculation   Laurence Marks
• [Wien] how to generate atomic positions for orthorhombic pbnm spacegroup   Shakeel Khandy
  • [Wien] how to generate atomic positions for orthorhombic pbnm spacegroup   tran at theochem.tuwien.ac.at
• [Wien] Wien Digest, Vol 113, Issue 6 - 20. Phonon Calculation   Madesis Ioannis(John)
• [Wien] How we calculate formation energy for a system   Vivek Jain
  • [Wien] How we calculate formation energy for a system   tran at theochem.tuwien.ac.at
    • [Wien] How we calculate formation energy for a system   wgt0771 at sina.com.cn
• [Wien] query about unmodified BJ potential   Dr. K. C. Bhamu
  • [Wien] query about unmodified BJ potential   Dr. K. C. Bhamu
    • [Wien] query about unmodified BJ potential   Gavin Abo
• [Wien] a minor typos in defining nband   Saeid Jalali
• [Wien] Discrepancy between DoS plot and bandstructure plot for position of fermi level   saurabh samant
  • [Wien] Discrepancy between DoS plot and bandstructure plot for position of fermi level   Pavel Ondracka
    • [Wien] Discrepancy between DoS plot and bandstructure plot for position of fermi level   saurabh samant
  • [Wien] Discrepancy between DoS plot and bandstructure plot for position of fermi level   Peter Blaha
    • [Wien] Discrepancy between DoS plot and bandstructure plot for position of fermi level   saurabh samant
      • [Wien] Discrepancy between DoS plot and bandstructure plot for position of fermi level   Gavin Abo
      • [Wien] Discrepancy between DoS plot and bandstructure plot for position of fermi level   saurabh samant
• [Wien] a rhombohedral structure   Hajar Nejati
  • [Wien] a rhombohedral structure   Laurence Marks
    • [Wien] a rhombohedral structure   Hajar Nejati
  • [Wien] a rhombohedral structure   Gavin Abo
  • [Wien] a rhombohedral structure   Hajar Nejati
• [Wien] Error in mpi+k point parallelization across multiple nodes   lung Fermin
  • [Wien] Error in mpi+k point parallelization across multiple nodes   Laurence Marks
  • [Wien] Error in mpi+k point parallelization across multiple nodes   lung Fermin
  • [Wien] Error in mpi+k point parallelization across multiple nodes   Laurence Marks
    • [Wien] Error in mpi+k point parallelization across multiple nodes   Laurence Marks
  • [Wien] Error in mpi+k point parallelization across multiple nodes   lung Fermin
    • [Wien] Error in mpi+k point parallelization across multiple nodes   Peter Blaha
• [Wien] U , J and effective U   delamora
  • [Wien] U , J and effective U   Yundi Quan
  • [Wien] U , J and effective U   Fecher, Gerhard
• [Wien] Geometry minimizer via PORT (min_lapw)   Mohammed Abujafar
  • [Wien] Geometry minimizer via PORT (min_lapw)   Laurence Marks
  • [Wien] Geometry minimizer via PORT (min_lapw)   Mohammed Abujafar
  • [Wien] Geometry minimizer via PORT (min_lapw)   Laurence Marks
• [Wien] Position of Atoms in AFM calculation.   Murugan Sundareswari
  • [Wien] Position of Atoms in AFM calculation.   delamora
  • [Wien] Position of Atoms in AFM calculation.   Fecher, Gerhard
    • [Wien] Position of Atoms in AFM calculation.   delamora

Last message date: Thu Apr 30 17:31:28 CEST 2015
Archived on: Thu Apr 30 17:31:46 CEST 2015

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