WIEN2k 13.1 (Release 17/6/2013)


Directory list:

VersionDescription
build01 WIEN2k 13.1 (Release 17/6/2013) build01
tst WIEN2k 13.1 (Release 17/6/2013) build01

Level of support

Tier 1 NSC has at least one application expert on staff with knowledge about this software, and we will try to help you with any problems. We have also ran some internal tests to make sure that the program is working as intended. NSC also commits to installing updates to this program as they become available.

Please see the page describing our software support categories for more information.
You can also contact support@nsc.liu.se for further information.

This is version 13.1 of WIEN2k. It is considered an IMPORTANT UPDATE from previous versions.

Important changes in 13.1, as listed on the official web page:

  • There is a new package for the calculation of NMR chemical shifts.

  • Experienced users will love makestruct_lapw, an interactive script to create case.struct (for small to medium sized cells, for large ones I would recommend cif2struct or xyz2struct).

  • new mixer (developed by L.Marks). improved convergence behavior for MSR1 and MSR1a.

  • new tetra can sum up several partial DOS