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band-unfolding / bandup

BandUP: Band Unfolding code for Plane-wave based calculations
http://www.ifm.liu.se/theomod/compphys/band-unfolding
GNU General Public License v3.0
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Carrier effective mass calculation #29

Open cai-xiaomeng opened 2 years ago

cai-xiaomeng commented 2 years ago

Hi!

Dose bandup support extracting the carrier effective mass near the band edge from the 'unfolded-symmetry-average.dat'?

stepan-tsirkin commented 2 years ago

Effective masses are not implemented. For that you need to use the unfoldet data and to make a parabolic fit yourself.