Evaluate phase stability of a material.
ashishd... at gmail.com
Wed May 3 12:35:44 UTC 2017
I would like to know how I can find if a particular material phase is
stable or not.
I have a material, say A, that shows layers of some phase B inside A in the
of lamellae. B can be monolayers or more but mostly A appears in the
I would like to know how I can test the stability of the phase B using CP2K?
I just want to know if B can really exist on its own or is an intermediate
A and some other form of the same material C.
The question seems rather general but I am looking for a general procedure
a routine for testing such a scenario.
Thanks in advance for your inputs.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the CP2K-user