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Shift current #181

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Julen-ia
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@Julen-ia Julen-ia commented Jun 7, 2018

Introduced option for calculating nonlinear shift current as a new berry_task=sc,
following the structure of the linear optical conductivity (berry_task=kubo).
The code implements the formalism given in J. Ibañez-Azpiroz, S. S. Tsirkin and I. Souza, arXiv:1804.04030 (2018).
Included additional material: description of new parameters in the user guide, example25, description and running steps for example25, test example in testsuite.

Julen-ia added 2 commits June 7, 2018 11:33
…pilation tests

because of them. Hopefully fixed now.
…ravis

testing procedure.
Modified shift-current test in the test-suite example,
it was too time-consuming, lowered number of k points.
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codecov bot commented Jun 8, 2018

Codecov Report

❗ No coverage uploaded for pull request base (shift-current@4e5c9d9). Click here to learn what that means.
The diff coverage is 59.45%.

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@@               Coverage Diff                @@
##             shift-current     #181   +/-   ##
================================================
  Coverage                 ?   57.95%           
================================================
  Files                    ?       27           
  Lines                    ?    16031           
  Branches                 ?        0           
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  Hits                     ?     9290           
  Misses                   ?     6741           
  Partials                 ?        0
Impacted Files Coverage Δ
src/postw90/wan_ham.F90 81.08% <ø> (ø)
src/postw90/berry.F90 70.33% <100%> (ø)
src/postw90/postw90_common.F90 64.86% <33.33%> (ø)
src/parameters.F90 77.63% <66.66%> (ø)

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@giovannipizzi giovannipizzi merged commit e3a8387 into wannier-developers:shift-current Jun 13, 2018
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Hi! I merged this, but this PR, though, was just a PR with a couple of fixes (long lines) on top of the branch 'shift-current' that has the modifications. That one is not merged yet - I will reopen #180 to discuss the actual changes (or, better, you should open a new PR from your branch, but directly to merge on 'develop').

manxkim pushed a commit to manxkim/wannier90 that referenced this pull request Jan 10, 2021
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4 participants