[Wannier] Constraint centers positions and disentanglement check point

[Angelo Ziletti]

Dear WannierUsers,
I am using Wannier90 to get parameters for a tight-binding Hamiltonian.  My system consists of a polymer on top of a graphene sheet.
I got the MLWFs for the graphene and the polymers (separated).
I want to calculate the hopping integrals between the MLWFs of the polymer and the MLWFs of the graphene; so, I did the electronic structure with polymer and graphene together.
I have lots of trouble to get the MLWF centers in meaningful positions (i.e. right symmetries)  and the right band structure interpolation. 

So, I have two questions:
1) how can I constraint the position of the Wannier Functions during the spread minimization procedure? (namely, I want to use the information from the separate calculations - the graphene-polymer interaction is weak)
2) how can I put a check-point in the disentanglement? (the disentanglement is taking very long)

Thanks for your attention.

Angelo Ziletti
PhD Candidate - School of Physics 
University College Dublin
angelo.ziletti at gmail.com