mismatch DOS and band structure

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zhr.adinehphd
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Joined: Mon Nov 12, 2018 7:46 pm

mismatch DOS and band structure

Post by zhr.adinehphd » Sat Jan 05, 2019 8:10 pm

hello
I got the Relax of structure CaZrS3
and then I placed the Relaxed atomic coordinates at Dos input and band structure input
By plotting total Dos and band structure the results are not the same.
please guide me.
With warm regards.
Attachments
CaZrS3_band.in
(3.52 KiB) Downloaded 279 times
CaZrS3_dos.in
(3.73 KiB) Downloaded 277 times
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