May 2018 Archives by thread

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Starting: Tue May 1 00:09:53 CEST 2018
Ending: Thu May 31 19:51:58 CEST 2018
Messages: 170

• [Wien] PBEsol and PBE   Wien2k User
  • [Wien] PBEsol and PBE   Lyudmila Dobysheva
• [Wien] Installation with MPI and GNU compilers   Gavin Abo
  • [Wien] Installation with MPI and GNU compilers   Pavel Ondračka
    • [Wien] Installation with MPI and GNU compilers   Fecher, Gerhard
      • [Wien] Installation with MPI and GNU compilers   Laurence Marks
    • [Wien] Installation with MPI and GNU compilers   Fecher, Gerhard
      • [Wien] Installation with MPI and GNU compilers   Pavel Ondračka
      • [Wien] Installation with MPI and GNU compilers   Laurence Marks
      • [Wien] Installation with MPI and GNU compilers   Rui Costa
      • [Wien] Installation with MPI and GNU compilers   Rui Costa
      • [Wien] Installation with MPI and GNU compilers   Pavel Ondračka
      • [Wien] Installation with MPI and GNU compilers   Pavel Ondračka
• [Wien] File for vacuum size   Lawal Mohammed
  • [Wien] File for vacuum size   Gavin Abo
  • [Wien] File for vacuum size   Lawal Mohammed
    • [Wien] File for vacuum size   Gavin Abo
• [Wien] Structural optimization, volume optimization   Ashwani Kumar
  • [Wien] Structural optimization, volume optimization   Fecher, Gerhard
  • [Wien] Structural optimization, volume optimization   Lyudmila Dobysheva
    • [Wien] Structural optimization, volume optimization   Fecher, Gerhard
• [Wien] TiC band structure error   Subhasis Panda
  • [Wien] TiC band structure error   Karel Vyborny
    • [Wien] TiC band structure error   Riyajul Islam
  • [Wien] TiC band structure error   Gavin Abo
    • [Wien] TiC band structure error   Subhasis Panda
• [Wien] Spontaneous polarization of PbTiO3   Lokanath Patra
  • [Wien] Spontaneous polarization of PbTiO3   Oleg Rubel
    • [Wien] Spontaneous polarization of PbTiO3   Lokanath Patra
      • [Wien] Spontaneous polarization of PbTiO3   Rubel, Oleg
      • [Wien] Spontaneous polarization of PbTiO3   Gavin Abo
      • [Wien] Spontaneous polarization of PbTiO3   Rubel, Oleg
      • [Wien] Spontaneous polarization of PbTiO3   Lokanath Patra
• [Wien] NumPy-1.6.2 not found error occurs during Wien2k_17.1 installation   AJAY SINGH VERMA
  • [Wien] NumPy-1.6.2 not found error occurs during Wien2k_17.1 installation   Rubel, Oleg
• [Wien] Volume optimization to monoclinic structure   Victor Zenou
  • [Wien] Volume optimization to monoclinic structure   Gavin Abo
    • [Wien] Volume optimization to monoclinic structure   Victor Zenou
      • [Wien] Volume optimization to monoclinic structure   Gavin Abo
      • [Wien] Volume optimization to monoclinic structure   Víctor Luaña Cabal
      • [Wien] Volume optimization to monoclinic structure   Gavin Abo
• [Wien] Fe3O4 run scf ROTDEF error   Riyajul Islam
  • [Wien] Fe3O4 run scf ROTDEF error   Gavin Abo
    • [Wien] Fe3O4 run scf ROTDEF error   Riyajul Islam
      • [Wien] Fe3O4 run scf ROTDEF error   Riyajul Islam
      • [Wien] Fe3O4 run scf ROTDEF error   Fecher, Gerhard
      • [Wien] Fe3O4 run scf ROTDEF error   Riyajul Islam
      • [Wien] Fe3O4 run scf ROTDEF error   Fecher, Gerhard
      • [Wien] Fe3O4 run scf ROTDEF error   Riyajul Islam
      • [Wien] Fe3O4 run scf ROTDEF error   Fecher, Gerhard
      • [Wien] Fe3O4 run scf ROTDEF error   Riyajul Islam
• [Wien] MoS2 polymer (PVDF) nano-composite dft study   Subhasis Panda
  • [Wien] MoS2 polymer (PVDF) nano-composite dft study   Subhasis Panda
  • [Wien] MoS2 polymer (PVDF) nano-composite dft study   Lyudmila Dobysheva
• [Wien] IEEE_UNDERFLOW_FLAG IEEE_DENORMAL   Ramsewak Kashyap
  • [Wien] IEEE_UNDERFLOW_FLAG IEEE_DENORMAL   Laurence Marks
    • [Wien] IEEE_UNDERFLOW_FLAG IEEE_DENORMAL   Pavel Ondračka
    • [Wien] IEEE_UNDERFLOW_FLAG IEEE_DENORMAL   Laurence Marks
      • [Wien] IEEE_UNDERFLOW_FLAG IEEE_DENORMAL   Pavel Ondračka
      • [Wien] IEEE_UNDERFLOW_FLAG IEEE_DENORMAL   Laurence Marks
      • [Wien] IEEE_UNDERFLOW_FLAG IEEE_DENORMAL   Pavel Ondračka
      • [Wien] IEEE_UNDERFLOW_FLAG IEEE_DENORMAL   Laurence Marks
      • [Wien] IEEE_UNDERFLOW_FLAG IEEE_DENORMAL   Pavel Ondračka
      • [Wien] IEEE_UNDERFLOW_FLAG IEEE_DENORMAL   Peter Blaha
      • [Wien] IEEE_UNDERFLOW_FLAG IEEE_DENORMAL   Pavel Ondračka
  • [Wien] IEEE_UNDERFLOW_FLAG IEEE_DENORMAL   Pavel Ondračka
• [Wien] Hund's Exchange parameter (J)   Wien2k User
  • [Wien] Hund's Exchange parameter (J)   tran at theochem.tuwien.ac.at
  • [Wien] Hund's Exchange parameter (J)   Wien2k User
    • [Wien] Hund's Exchange parameter (J)   Wien2k User
      • [Wien] Hund's Exchange parameter (J)   Gavin Abo
      • [Wien] Hund's Exchange parameter (J)   Wien2k User
      • [Wien] Hund's Exchange parameter (J)   Gavin Abo
      • [Wien] Hund's Exchange parameter (J)   Wien2k User
      • [Wien] Hund's Exchange parameter (J)   Gavin Abo
• [Wien] (no subject)   Arvind Kumar
  • [Wien] (no subject)   Arvind Kumar
    • [Wien] (no subject)   sandeep arora
    • [Wien] (no subject)   Gavin Abo
  • [Wien] (no subject)   Gavin Abo
  • [Wien] (no subject)   Arvind Kumar
  • [Wien] (no subject)   Arvind Kumar
  • [Wien] (no subject)   Laurence Marks
  • [Wien] (no subject)   sudipta
    • [Wien] (no subject)   Gavin Abo
      • [Wien] (no subject)   sudipta
      • [Wien] (no subject)   Karel Vyborny
      • [Wien] (no subject)   sudipta
      • [Wien] (no subject)   Fecher, Gerhard
• [Wien] 'ifort' and 'mkl libraries   Victor Zenou
  • [Wien] 'ifort' and 'mkl libraries   Laurence Marks
    • [Wien] 'ifort' and 'mkl libraries   Victor Zenou
      • [Wien] 'ifort' and 'mkl libraries   Gavin Abo
  • [Wien] 'ifort' and 'mkl libraries   Gavin Abo
    • [Wien] 'ifort' and 'mkl libraries   Victor Zenou
• [Wien] Wien2k workshop   Peter Blaha
• [Wien] allowing arbitrary name of the directory containing case files   Moustafa, Sabry
  • [Wien] allowing arbitrary name of the directory containing case files   Fecher, Gerhard
• [Wien] Some questions about output files   Sergio Castillo Robles
  • [Wien] Some questions about output files   Gavin Abo
    • [Wien] Some questions about output files   Lawal Mohammed
• [Wien] Band sort criteria in scf2 files   Sergio Castillo Robles
• [Wien] Finite temperature DFT: electronic free energy   Sabry Moustafa
  • [Wien] Finite temperature DFT: electronic free energy   Gavin Abo
    • [Wien] Problems when trying to plot E vs c/a   Fecher, Gerhard
      • [Wien] Problems when trying to plot E vs c/a   Peter Blaha
      • [Wien] Problems when trying to plot E vs c/a   Fecher, Gerhard
      • [Wien] Problems when trying to plot E vs c/a   Riyajul Islam
      • [Wien] Problems when trying to plot E vs c/a   Pavel Ondračka
      • [Wien] Problems when trying to plot E vs c/a   Fecher, Gerhard
      • [Wien] Problems when trying to plot E vs c/a   Riyajul Islam
      • [Wien] Problems when trying to plot E vs c/a   Fecher, Gerhard
  • [Wien] Finite temperature DFT: electronic free energy   Peter Blaha
    • [Wien] Finite temperature DFT: electronic free energy   Sabry Moustafa
    • [Wien] Finite temperature DFT: electronic free energy   Laurence Marks
    • [Wien] Finite temperature DFT: electronic free energy   Sabry Moustafa
    • [Wien] Finite temperature DFT: electronic free energy   Laurence Marks
• [Wien] Dense mesh calculation   Lukasz Plucinski
  • [Wien] Dense mesh calculation   Peter Blaha
• [Wien] error in symmetry step (not seen by sgroup)   Bartek Wiendlocha
  • [Wien] error in symmetry step (not seen by sgroup)   Fecher, Gerhard
  • [Wien] error in symmetry step (not seen by sgroup)   Laurence Marks
    • [Wien] error in symmetry step (not seen by sgroup)   Peter Blaha
      • [Wien] error in symmetry step (not seen by sgroup)   Bartek Wiendlocha
      • [Wien] error in symmetry step (not seen by sgroup)   Gavin Abo
      • [Wien] error in symmetry step (not seen by sgroup)   Peter Blaha
• [Wien] Quantization axis for orbitals   Lukasz Plucinski
  • [Wien] Quantization axis for orbitals   Peter Blaha
• [Wien] threaded run with SLURM   Sabry Moustafa
  • [Wien] threaded run with SLURM   Gavin Abo
  • [Wien] threaded run with SLURM   Laurence Marks
  • [Wien] Structure optimization   pluto
    • [Wien] Structure optimization   Peter Blaha
    • [Wien] Structure optimization   Gavin Abo
    • [Wien] Structure optimization   Laurence Marks
  • [Wien] Structure optimization   Laurence Marks
• [Wien] w2w: error while processing def   bangxing
  • [Wien] w2w: error while processing def   Gavin Abo
• [Wien] Spin components of Bloch states   Md. Fhokrul Islam
• [Wien] DMFT   Sabry Moustafa
• [Wien] mini with constraints?   Laurence Marks
  • [Wien] mini with constraints?   Peter Blaha
    • [Wien] mini with constraints?   Gavin Abo
    • [Wien] mini with constraints?   Laurence Marks
• [Wien] Problem in volume optimization   Arvind Kumar
  • [Wien] Problem in volume optimization   Fecher, Gerhard
  • [Wien] Problem in volume optimization   Gavin Abo
• [Wien] ferrimagnetic   Wien2k User
  • [Wien] ferrimagnetic   delamora
    • [Wien] ferrimagnetic   Fecher, Gerhard
      • [Wien] ferrimagnetic   Wien2k User
• [Wien] spagh2rho Output Files   Matthew D Redell
  • [Wien] spagh2rho Output Files   Gavin Abo
    • [Wien] spagh2rho Output Files   Fecher, Gerhard
• [Wien] Convergence of magnetic moment   Rui Costa
  • [Wien] Convergence of magnetic moment   Peter Blaha
  • [Wien] Convergence of magnetic moment   Laurence Marks
• [Wien] Regarding the stop error in non-spin polarized spin orbit calculations   mandeep hooda
  • [Wien] Regarding the stop error in non-spin polarized spin orbit calculations   Gavin Abo
• [Wien] Cif2Struct again   Sherif Yehia
  • [Wien] Cif2Struct again   William Lafargue-dit-Hauret
  • [Wien] Cif2Struct again   Sherif Yehia
• [Wien] ReCif2struct   Sherif Yehia
  • [Wien] ReCif2struct   William Lafargue-dit-Hauret
• [Wien] New IRelast2D Package   morteza jamal
• [Wien] help :relaxation structure   BUSHRA SABIR
  • [Wien] help :relaxation structure   Laurence Marks
• [Wien] some queries from 2Doptimization   Dr. K. C. Bhamu
  • [Wien] some queries from 2Doptimization   Peter Blaha
• [Wien] Error in lapw1/2.error file, that does not stop running   Luc Fruchter

Last message date: Thu May 31 19:51:58 CEST 2018
Archived on: Thu May 31 19:52:35 CEST 2018

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