[Wannier] momentum operator matrix

Giovanni Pizzi giovanni.pizzi at epfl.ch
Tue Mar 17 16:00:41 CET 2015

Hi Yu Zhang,

there is a module 'geninterp' in postw90.x that prints in output bands and band derivatives (see also the documentation to see how it works). Band derivatives internally use the matrix elements you are asking for: you can look at the implementation (src/postw90/geninterp.F90) to see which functions are called, and then possibly modify slightly the code to print the quantities you are interested into.

Giovanni Pizzi

P.S.: remember to sign with your affiliation!

Giovanni Pizzi
Post-doctoral Research Scientist
MXC 340 (Bâtiment MXC)
Station 12
CH-1015 Lausanne (Switzerland)
Phone: +41 21 69 31124

On 10 Mar 2015, at 22:04, Yu Zhang wrote:

Dear wannier90 users and developers,

I want to get the the matrix element of momentum operator, i.e., <Rn| \nabla |0m>. I didn't find any instructions to get the matrix element from wannier90. Does anybody know how to get the momentum operator matrix?

Thank you in advance!

Best regards,

Yu Zhang
Wannier mailing list
Wannier at quantum-espresso.org<mailto:Wannier at quantum-espresso.org>

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