Dear Huaiyuan,
great, essentially you were merging the two eigenstates so you were looking at their linear combination in each of the two cases.
Best,
Daniele
How to relate k point index to coordinates
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Daniele Varsano
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Re: How to relate k point index to coordinates
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/