1 High symmetry K points

1. From Bilbao Crystallographic Server.
2. From Materiasl Studio.
3. From Aconvasp.
4. From my Program vsym.x(not fully tested yet).

2 Fat Band

1. Could be generated by LOBSTER.
2. by my script vpro2bnd.

3 d-band center^[1]

• http://mob.muchong.com/mip/html/201407/7649565.html

\epsilon_d=\frac{\int_{-\infty}^{E_F}f(PDOS\_d)EdE}{\int_{-\infty}^{E_F}f(PDOS\_d)dE}