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TRIQS / solid_dmft

solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.
https://triqs.github.io/solid_dmft/
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update Ce2O3 tutorial toml file #89

Closed InaPark93 closed 1 month ago

InaPark93 commented 1 month ago

Hi,

In this PR, I update the input toml file for the Ce2O3 tutorial.

In the updated toml file, enforce_off_diag = false h_int_basis = "qe"
are added.

The first line was added because the default value of that tag is set to true, and in this tutorial, we aimed to avoid that for affordable computational time. The second line was added because, when this tutorial was created, the tag h_int_basis did not exist in older version. Now, we set it to "qe" to ensure the correct orbital order, as intended in the tutorial.

Thanks! Ina

the-hampel commented 1 month ago

Thank you @InaPark93 for the corrections! I will merge these now into 3.3.x and then also cherry-pick it into unstable.