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.
mismatch DOS and band structure
Moderator: bguster
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- Posts: 2
- Joined: Mon Nov 12, 2018 7:46 pm
mismatch DOS and band structure
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- CaZrS3_band.in
- (3.52 KiB) Downloaded 255 times
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- CaZrS3_dos.in
- (3.73 KiB) Downloaded 257 times