si_model_fitting

Use model fitting to compute band structure for silicon

Data

The data (json files) is on golub in /projects/wagner/wawheel2/model_fitting/si_model_fitting/gamma_vbm_cbm/

Name		Name	Last commit message	Last commit date
Latest commit History 70 Commits
notes		notes
prim_sipyscf		prim_sipyscf
result_derivs		result_derivs
README.md		README.md
analyze_jsonlog.py		analyze_jsonlog.py
chkinfo.py		chkinfo.py
det_mfenergies.py		det_mfenergies.py
fit_si.py		fit_si.py
model_fitting.py		model_fitting.py
rundft.py		rundft.py
si.cif		si.cif
test_dmc_derivatives.py		test_dmc_derivatives.py