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