[Wannier] Wannier Copper test and ultrasoft pseudo

[Ho Viet Thang - Khoa Hoa]

Dear Wannier developers,

I have tried to run the Wannier interpolated electronic band structure of Cu in tutorial6 with the input files given in this link:https://github.com/wannier-developers/wannier90/tree/develop/tutorials/tutorial06. I realized that:
1) the mass of Cu in scf (63.546) and nscf (55.85) file is different and the number of kpoints in scf (16x16x6) and nscf (64) are also different.
2) I used ultrasoft pseudo cu_pbe_v1.2.uspp.F.UPF, this gave rise to completely different band structures as Cu.pz-n-van_ak.UPF pseudo (even the copper_band.gnu file did not present the lowest value in yrange, just *******:)

Would you please so kind give me some explanation on these issues?
Thank you very much in advance

--------------------------------------
Ho
The University of Danang, Vietnam


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