Adding a new dimension to DFT calculations of solids ...
Frequently asked Questions
©2001 by P. Blaha, K. Schwarz and J. Luitz
This section will be updated regularly as questions of general interest are being asked.
Questions related to details on running the code and interpretations
How to select RMT radii?
Questions related to the installation of the codeExample of a WIEN2k support page for a computing center (including support for queuing systems)
Running WIEN2k in k-point- or mpi-parallel mode under queuing systems like SLURM, SGE, PBS or Loadleveler
Compiling WIEN2k on Linux and ifort (including compiler installation and tips for older versions) (including an external link provided by G.Fecher)
Some older (partly outdated) hints are:
Compiling WIEN2k under Linux using ifc (pgf90) and optimized libraries (not up to date anymore)
Compiling WIEN2k under REDHAT 9.0 (or other Linux versions with identical new clib) and Intel's ifc (v. 7.1)
Compilation on SUN systems
Compiling WIEN2k under Vast f90
Compiling WIEN2k with pgf90 (3.3-2) under Linux
Converting cases from pre-WIEN2k_03 style to WIEN2k_03 style (supporting more than 99 atoms/cell)
©2001 by P. Blaha and K. Schwarz