March 2015 Archives by thread

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Starting: Mon Mar 2 05:20:20 CET 2015
Ending: Tue Mar 31 18:19:27 CEST 2015
Messages: 164

• [Wien] semicore band-ranges too large problem   bayarr temuujin
  • [Wien] semicore band-ranges too large problem   Lyudmila Dobysheva
    • [Wien] semicore band-ranges too large problem   Gavin Abo
• [Wien] supercell calculation not converging   saurabh samant
  • [Wien] supercell calculation not converging   Lyudmila Dobysheva
    • [Wien] supercell calculation not converging   Lyudmila Dobysheva
      • [Wien] supercell calculation not converging   saurabh samant
      • [Wien] supercell calculation not converging   Lyudmila Dobysheva
• [Wien] Problems with hybrid calculation   Paul Fons
  • [Wien] Problems with hybrid calculation   tran at theochem.tuwien.ac.at
    • [Wien] Problems with hybrid calculation   Paul Fons
      • [Wien] Problems with hybrid calculation   Pavel Ondracka
      • [Wien] Problems with hybrid calculation   tran at theochem.tuwien.ac.at
• [Wien] DFT of a normal spinel   shamik chakrabarti
  • [Wien] DFT of a normal spinel   shamik chakrabarti
• [Wien] Mo+Si, is a U needed ?   Laurence Marks
  • [Wien] Mo+Si, is a U needed ?   Peter Blaha
• [Wien] Problems with parallel hybrid functional calculation   Paul Fons
  • [Wien] Problems with parallel hybrid functional calculation   Gavin Abo
  • [Wien] Problems with parallel hybrid functional calculation   Peter Blaha
• [Wien] restricting magnetic moment of individual atom‏   محمد ارشد فرحان
  • [Wien] restricting magnetic moment of individual atom‏   Peter Blaha
• [Wien] About core-hole calculations for XSPEC:   Tuan Vu
  • [Wien] About core-hole calculations for XSPEC:   Peter Blaha
• [Wien] Ghostbands: pushed energy range in case.in1 to 6.3, does this mean there is a problem?   David Olmsted
  • [Wien] Ghostbands: pushed energy range in case.in1 to 6.3, does this mean there is a problem?   Peter Blaha
  • [Wien] Ghostbands: pushed energy range in case.in1 to 6.3, does this mean there is a problem?   David Olmsted
    • [Wien] Ghostbands: pushed energy range in case.in1 to 6.3, does this mean there is a problem?   Peter Blaha
  • [Wien] Ghostbands: pushed energy range in case.in1 to 6.3, does this mean there is a problem?   David Olmsted
    • [Wien] Ghostbands: pushed energy range in case.in1 to 6.3, does this mean there is a problem?   Peter Blaha
• [Wien] Quadrupole transition for XAS   tscchung
  • [Wien] Quadrupole transition for XAS   Kevin Jorissen
• [Wien] Best RKmax   Hannan.Sadek at uv.es
  • [Wien] Best RKmax   Peter Blaha
    • [Wien] Best RKmax   Hannan.Sadek at uv.es
      • [Wien] Best RKmax   Gavin Abo
• [Wien] [WIEN]about wave function in WIEN2k   F.Tang
  • [Wien] [WIEN]about wave function in WIEN2k   tran at theochem.tuwien.ac.at
• [Wien] temparature calculation   Murugan Sundareswari
  • [Wien] temparature calculation   Víctor Luaña Cabal
• [Wien] eigenfunction in WIEN2k   F.Tang
• [Wien] (no subject)   Qasim Mahmood
  • [Wien] (no subject)   Gavin Abo
  • [Wien] (no subject)   Suman Bangar
• [Wien] Boltztrap for spin polarized materials   Murugan Sundareswari
  • [Wien] Boltztrap for spin polarized materials   Gavin Abo
    • [Wien] Boltztrap for spin polarized materials   Murugan Sundareswari
    • [Wien] Problems with hybrid calculations: case.vectorhf_old file missing   Paul Fons
    • [Wien] Problems with hybrid calculations: case.vectorhf_old file missing   Paul Fons
      • [Wien] Problems with hybrid calculations: case.vectorhf_old file missing   Peter Blaha
• [Wien] wien2wannier interface   wasim raja Mondal
  • [Wien] wien2wannier interface   Elias Assmann
    • [Wien] wien2wannier interface   wasim raja Mondal
      • [Wien] wien2wannier interface   wasim raja Mondal
      • [Wien] wien2wannier interface   Elias Assmann
      • [Wien] wien2wannier interface   Elias Assmann
      • [Wien] wien2wannier interface   wasim raja Mondal
      • [Wien] wien2wannier interface   Elias Assmann
      • [Wien] wien2wannier interface   wasim raja Mondal
      • [Wien] wien2wannier interface   Elias Assmann
  • [Wien] wien2wannier interface   Kyohn Ahn
    • [Wien] wien2wannier interface   wasim raja Mondal
      • [Wien] wien2wannier interface   Elias Assmann
      • [Wien] wien2wannier interface   wasim raja Mondal
      • [Wien] wien2wannier interface   Elias Assmann
  • [Wien] wien2wannier interface   Kyohn Ahn
    • [Wien] wien2wannier interface   Elias Assmann
• [Wien] LDA-GGA and van der Waals   Osama Yassin
  • [Wien] LDA-GGA and van der Waals   tran at theochem.tuwien.ac.at
    • [Wien] LDA-GGA and van der Waals   Osama Yassin
• [Wien] error in wannier function plotting with wien2wannier   wasim raja Mondal
• [Wien] Plotting momentum resolved density of states   Dileep Krishnan
• [Wien] optimizing atomic positions   Mohammed Abujafar
  • [Wien] optimizing atomic positions   Laurence Marks
• [Wien] TELNES Phosphorus L23 and L1 edge   massimiliano amato
  • [Wien] TELNES Phosphorus L23 and L1 edge   Kevin Jorissen
• [Wien] trouble with rxes calculations   Tolhurst, Thomas
• [Wien] reletivistic effects   Ридный Ярослав Максимович
  • [Wien] reletivistic effects   Xavier Rocquefelte
• [Wien] Update on hybrid troubles   Paul Fons
  • [Wien] Update on hybrid troubles   Paul Fons
    • [Wien] Update on hybrid troubles   tran at theochem.tuwien.ac.at
      • [Wien] Hybrid Test on MgO   Paul Fons
      • [Wien] Update on hybrid troubles   FonsPaul
      • [Wien] Update on hybrid troubles   Peter Blaha
      • [Wien] Update on hybrid troubles   tran at theochem.tuwien.ac.at
• [Wien] WIEN2k workshop   Peter Blaha
  • [Wien] DOS plot   delamora
  • [Wien] WIEN2k workshop   Gunakar Das
    • [Wien] WIEN2k workshop   Peter Blaha
      • [Wien] WIEN2k workshop   Ong Phuong Khuong (IHPC)
• [Wien] Optimization of atomic positions   Peter Blaha
  • [Wien] Optimization of atomic positions   Mohammed Abujafar
    • [Wien] Optimization of atomic positions   Peter Blaha
    • [Wien] Optimization of atomic positions   Mohammed Abujafar
      • [Wien] Optimization of atomic positions   Peter Blaha
  • [Wien] Optimization of atomic positions   Mohammed Abujafar
• [Wien] NMR calculation   Ary Ferreira
  • [Wien] NMR calculation   Robert Laskowski
• [Wien] DOS spin polarized in WIEN2k-14.2   delamora
  • [Wien] DOS spin polarized in WIEN2k-14.2   delamora
  • [Wien] DOS spin polarized in WIEN2k-14.2   Gavin Abo
    • [Wien] DOS spin polarized in WIEN2k-14.2   Peter Blaha
• [Wien] Problems with case.weighf file   Fons Paul
  • [Wien] Problems with case.weighf file   Peter Blaha
• [Wien] TiC-example SCF error   Khandmaa TS
  • [Wien] TiC-example SCF error   Peter Blaha
  • [Wien] TiC-example SCF error   Peter Blaha
    • [Wien] TiC-example SCF error   Khandmaa TS
      • [Wien] TiC-example SCF error   Peter Blaha
      • [Wien] TiC-example SCF error   Khandmaa TS
      • [Wien] TiC-example SCF error   Peter Blaha
      • [Wien] TiC-example SCF error   Khandmaa TS
      • [Wien] TiC-example SCF error   Peter Blaha
      • [Wien] TiC-example SCF error   Khandmaa TS
      • [Wien] TiC-example SCF error   Peter Blaha
• [Wien] Determine primitive cell and positions, CXZ LATTICE 15_B2/b   David Olmsted
  • [Wien] Determine primitive cell and positions, CXZ LATTICE 15_B2/b   Peter Blaha
    • [Wien] Determine primitive cell and positions, CXZ LATTICE 15_B2/b   Terki Férial
  • [Wien] Determine primitive cell and positions, CXZ LATTICE 15_B2/b   David Olmsted
    • [Wien] Determine primitive cell and positions, CXZ LATTICE 15_B2/b   Peter Blaha
    • [Wien] Determine primitive cell and positions, CXZ LATTICE 15_B2/b   Laurence Marks
  • [Wien] Determine primitive cell and positions, CXZ LATTICE 15_B2/b   David Olmsted
• [Wien] Fw: NN error during initialization   Lawal Mohammed
  • [Wien] Fw: NN error during initialization   Fecher, Gerhard
• [Wien] TiC example fails with memory corruption error on Mixer   Williams, Alan
  • [Wien] TiC example fails with memory corruption error on Mixer   Laurence Marks
    • [Wien] TiC example fails with memory corruption error on Mixer   Williams, Alan
    • [Wien] TiC example fails with memory corruption error on Mixer   Laurence Marks
• [Wien] Nuclear charge shows as lowered with core hole (:NEC lines)   David Olmsted
  • [Wien] Nuclear charge shows as lowered with core hole (:NEC lines)   Peter Blaha
• [Wien] Error message during compilation   farouk boutaiba
  • [Wien] Error message during compilation   Laurence Marks
  • [Wien] Error message during compilation   farouk boutaiba
    • [Wien] Error message during compilation   Gavin Abo
• [Wien] Error message during scf calculation   farouk boutaiba
  • [Wien] Error message during scf calculation   Gavin Abo
  • [Wien] Error message during scf calculation   farouk boutaiba
  • [Wien] Error message during scf calculation   farouk boutaiba
    • [Wien] Error message during scf calculation   Gavin Abo
    • [Wien] Error message during scf calculation   farouk boutaiba
      • [Wien] Error message during scf calculation   Gavin Abo
      • [Wien] Error message during scf calculation   farouk boutaiba
      • [Wien] Error message during scf calculation   Pascal Boulet
      • [Wien] Error message during scf calculation   Gavin Abo
      • [Wien] Error message during scf calculation   Gavin Abo
      • [Wien] Error message during scf calculation   Pascal Boulet
      • [Wien] Error message during scf calculation   farouk boutaiba
• [Wien] incorrect determination of multiplicity by nn   mazin
  • [Wien] incorrect determination of multiplicity by nn   Peter Blaha
• [Wien] t2g -eg plot   Vijeta Singh
  • [Wien] t2g -eg plot   Rishi Singh
• [Wien] Space group P4(2)/nmc (137)   Ary Ferreira
  • [Wien] Space group P4(2)/nmc (137)   Peter Blaha
  • [Wien] Space group P4(2)/nmc (137)   Víctor Luaña Cabal
• [Wien] minor filtvec troubles   Pavel Ondracka
  • [Wien] minor filtvec troubles   Peter Blaha
• [Wien] Reg. installation of Wien2k 14.2   Dr. K. Balamurugan
• [Wien] Reference point of Fermi energy   Mohammed Abujafar
  • [Wien] Reference point of Fermi energy   Peter Blaha
• [Wien] [WIEN]about the file case.radwf   剑去无痕
  • [Wien] [WIEN]about the file case.radwf   tran at theochem.tuwien.ac.at
  • [Wien] [WIEN]about the file case.radwf   Peter Blaha
• [Wien] AFM Calculations   Murugan Sundareswari

Last message date: Tue Mar 31 18:19:27 CEST 2015
Archived on: Tue Mar 31 18:19:34 CEST 2015

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