VASP 5.3.5 - Mar 31 2014
||Initial version of 5.3.5. Mostly for testing.|
||VASP 5.3.5 tuned for Triolith|
||VASP 5.3.5 tuned for Triolith (with -Dtbdyn)|
||VASP 5.3.5 superoptimized|
||VASP 5.3.5 with BEEF|
||VASP 5.3.5 with OpenMP|
Level of support
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 firstname.lastname@example.org for further information.
The source code for this version was downloaded from the VASP home page on 2014–04–01.
Some of the news in this version:
- MSx metaGGA functionals
- New linear response solver for NMR
- Grimme’s D3
- BEEF functional
- Many bugfixes
Please read the release notes for full information.
Observations so far:
- Hybrid calculations (HSE06) run a bit faster, 5–10% with 5.3.5 vs 5.3.3.
- There seems to be a performance regression (or bug fix) for non-collinear calculations. They run about 5% slower in 5.3.5 vs 5.3.3.
- There is experimental support for NPAR/NCORE with hybrid calculations, but it rather seems to slow things down when I try.