[Wannier] Convergence problem of wannierisation

Reza Rasuli rezarasuli at physics.sharif.edu
Tue Dec 1 19:53:55 CET 2009


Dear all
Can one answer this please?
1- What errors would a Bloch orbital approach in a periodic cell give, for
calculation of conductance, compared to the MLWF?
2- Does the K-mesh in PWSCF input depend on the MLWF basis? Is the
convergence alluded to better, compared to a plane-wave basis?
I will be grateful if you respond me.
-- 
Reza Rasuli
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