[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/wannier/attachments/20091201/defe1731/attachment.html>
More information about the Wannier
mailing list