[Wannier] how to read position matrix
Chong Wang
ch-wang at outlook.com
Sun Nov 13 04:14:53 CET 2016
Hi everyone,
For some reason, I need access to position matrix elements of Wannier functions, i.e. <0n|r|Rm>. (see also eq.39 in "Ab initio calculation of the anomalous Hall conductivity by Wannier interpolation".)
I have found a subroutine named get_AA_R in get_oper.F90 in the source code. I have two questions:
1. Is it correct to just print out the AA_R matrix in get_AA_R subroutine? Are they just <0n|r|Rm>?
2. There's a comment saying: "
Since Eq.(44) WYSV06 does not preserve the Hermiticity of the Berry potential matrix, take Hermitean part (whether this makes a difference or not for e.g. the AHC, depends on which expression is used to evaluate the Berry curvature. See comments in berry_wanint.F90)
"
I don't find a file named berry_wanint.F90. Can anyone explain this to me?
Best!
Chong Wang
Institute for Advanced Study, Tsinghua University, Beijing, 100084
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