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TRIQS
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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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merge dev GW embedding (includes other fixes as well)
#78
Closed
the-hampel
closed
4 months ago
the-hampel
commented
4 months ago
new gw_flow module to run gw_embedding with the AIMBES code
switch from old ctseg to new ctseg_j solver and make changes in solver structure
add new DC schemes 'crpa_static', 'crpa_static_qp', 'crpa_dynamic'
use cRPA calculated Uijkl as interaction via 'crpa', 'crpa_density_density', 'dyn_density_density', 'dyn_full' hint types
new gw params section in input passed to all functions
update doc to reflect these changes
allow CRM Dyson solver for both cthyb and ctseg to obtain Sigma_imp from G_tau
add new tests for CRM Dyson solver (requires triqs 3.3)
add new GW embedding tests that run optionally with -DTest_GW_embedding=ON
use cmake variable to determine max number of mpi ranks during testing