[Wannier] wannier90 (VASP) for bulk systems ?

MANISH KR MOHANTA manish.ph16239 at inst.ac.in
Wed Feb 12 15:29:44 CET 2020


Dear Experts,

I am using vasp-5.4.4 with wannier90-2.1 versions. The band structure for
bulk SnS2 provided
"
https://github.com/JMSkelton/VASP-Examples/tree/master/Wannier90_SnS2/02_PBE-ElectronicStructure"
is amazingly reproduced however, when I am doing for 2D material, the band
structures are very distorted. (Increasing or decreasing NBANDS is not
helping).

Is wannier90 is for bulk systems ? Since I can't find any example for 2D
materials.

Any suggestion or example file for 2D material will be very helpful.





-- 
*Best Regards*
*Manish Kumar Mohanta*
*Ph.D student*
*Institute of Nano Science and Technology*

*Mohali, Punjab, India*
*M- +91-9643212837*
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/wannier/attachments/20200212/2acd7d40/attachment.html>


More information about the Wannier mailing list