├── BandEdges.py ├── INCAR.ele ├── INCAR.opt ├── LICENSE ├── OPTCTR.eps ├── OPTCTR.trans ├── README.md ├── calc_slme.py ├── make_diel.py └── strong_transitions.py /BandEdges.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/keeeto/SLMETools/HEAD/BandEdges.py -------------------------------------------------------------------------------- /INCAR.ele: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/keeeto/SLMETools/HEAD/INCAR.ele -------------------------------------------------------------------------------- /INCAR.opt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/keeeto/SLMETools/HEAD/INCAR.opt -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/keeeto/SLMETools/HEAD/LICENSE -------------------------------------------------------------------------------- /OPTCTR.eps: -------------------------------------------------------------------------------- 1 | ISYMM = 6 2 | -------------------------------------------------------------------------------- /OPTCTR.trans: -------------------------------------------------------------------------------- 1 | ISYMM = 6 2 | LSEARCH = .TRUE. 3 | -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/keeeto/SLMETools/HEAD/README.md -------------------------------------------------------------------------------- /calc_slme.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/keeeto/SLMETools/HEAD/calc_slme.py -------------------------------------------------------------------------------- /make_diel.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/keeeto/SLMETools/HEAD/make_diel.py -------------------------------------------------------------------------------- /strong_transitions.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/keeeto/SLMETools/HEAD/strong_transitions.py --------------------------------------------------------------------------------