Hi,
I did a simulation for a silicon nanowire unit cell , to optimize the geometry and to get the Band structure . The simulation converged and now I need to get the Maximally Localized Wannier Functions; for which I am trying to run Wannier90.
I am aware of the option to export the .nc files as input for PW in Quantum Espresso to which I can interface Wannier90 and extract MLWFs. But is there anyway I can generate the input file (seedname.win) for Wannier90 using the calculations already done in Quantumwise; without having to run the Self-consistent calculation all over again using Quantum Espresso as the SCF calculation is taking a lot of time.
Waiting to hear from you. Thanks
Dibakar