Mueller-Plathe method

[bandri]

Dear VASP users,
in the VASP-Wiki, in the "Ensemble properties", I have seen the pages related to the Mueller-Plathe method for the calculation of lattice thermal conductivity. Is it possible to perform the VASP calculation
of the thermal conductivity of materials using this method? If yes, Is it possible to obtain access to the corresponding documents/tutorials? I would be thankful for your reply.
Best regards,
Bohdan

[michael_wolloch]

Dear Bohan,

we are indeed working on a Müller-Plathe implementation and planned a release for 6.4.3. However, we discovered some inconsistencies in the implementation shortly before the release and put this on hold until we have solved them. Unfortunately, some of the documentation on the wiki was not removed accordingly. I have now moved those parts of the wiki so they are no longer visible.

To answer your question: Unfortunately, it is not possible to do Müller-Plathe calculations with VASP currently, but the feature is coming soon! Be sure to keep watching the changelog, the feature will come and will be well documented then.

Thanks for making us aware of the inconsistent wiki,
all the best, Michael

[bandri]

Dear Michael,
thank you very much for your reply.
Best wishes,
Bohdan