[Wannier] Wannier 90 Interface with Espresso 5.1

SRKC Sharma Yamijala sharmajncasr at gmail.com
Sun Sep 14 09:30:56 CEST 2014


Dear Developer/user,

I would like to know whether the pw2wannier90.f90 file given on the website
of wannier90 for espresso 5.0 will be compatible with the espresso 5.1 or
not? Also, could you please let me know if there are any requirements other
than the above file which I need to use to run wannier90 along with the
espresso 5.1 version.

My mine aim to generate the hr.dat file (i.e. hamiltonian in real space).
Also, may I know is there any utility to get the hamiltonian in K space (in
wannier basis) from the hr.dat file either using espresso or through
wannier90 (like the convham utility in WIEN2K).

Thanking you for your support,
Sincerely,
Sharma.

P. S.: I am a Ph.D. student at CPMU, JNCASR. Webpage is given below for
more details.


********************************************************
*Chaitanya Sharma,*
*Prof. Pati'*s group,
Chemistry and Physics Materials unit,
JNCASR, BANGLORE,
Lab:: (080-2208) 2581, 2809
https://sites.google.com/site/sharmasrkcyamijala/
*********************************************************
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