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Adding a new dimension to DFT calculations of solids ...

Scientific programme: (pdf files are now available !)

This 12th WIEN workshop deals with density functional (DFT) calculations using the (full-potential) Augmented Plane Wave plus Local Orbitals (APW+lo) method as embodied in the WIEN2k code.

The workshop covers three aspects:

  • Introduction to DFT, APW+lo, and WIEN2k
  • Applications using WIEN2k code (and related methods)
  • Lectures on and exercises with WIEN2k

Tuesday, April 18, 2006
  • 16.00 to 19.00 Registration
  • after 18.00 Get together (light buffet and drink reception, which will take place near the registration desk)

Wien2k workshop: on Wednesday and Thursday


Wednesday, April 19, 2006
Chairperson: Karlheinz Schwarz
  • 13.00 Lunch (Mensa)
  • 14.00 P.Blaha (TU Wien):
    WIEN2k: input and output files (density, band structure, DOS, spectra, forces, structure optimization, supercells)
  • 15.30 Exercise II (run first examples)
  • 16.00 Coffee break

Thursday, April 20, 2006
Chairperson: Karlheinz Schwarz
  • 13.00 Lunch (Mensa)
  • 14.00 P.Blaha(TU Wien):
    Installation of WIEN2k (procedure and computer requirements)
    General discussion on WIEN2k (questions problems suggestions)
  • 15.00 Exercise IV (run and analyze test cases)
  • 16.00 Coffee break

DFTEM 2006 Friday till Sunday, April 21 - 23, 2006

[Home] [(L)APW+lo] [Features] [Hard+Soft] [Order info] [Papers] [Reg Users]

©2001 by P. Blaha and K. Schwarz

April 21 - 23, 2006

[Home] [(L)APW+lo] [Features] [Hard+Soft] [Order info] [Papers] [Reg Users]

©2001 by P. Blaha and K. Schwarz