[Wannier] Exiting....... kmesh_get_automatic

with any of the first 12 shells Your cell might be very long, or you may have an irregular MP grid Try increasing the parameter search_shells in the win file (default=12) Exiting... kmesh_get_automatic __ Best regards -- Zafer Kandemir Postdoctoral Researcher - Theoretical Phys

Re: [Wannier] Exiting....... kmesh_get_automatic

| |*** 1 | ++ 0.000445 0.030384 Exiting... Non-symmetric k-point neighbours! How to solve this problem. Best regards -- Zafer Kandemir Postdoctoral Researcher - Theoretical Physicist Mechanical Engineering

[Wannier] How to set projections block in *.win input file

Here, does "C:p" show the last orbits (2px,2py,2pz) of C atom? When I look at some examples for titanium atom, it is shown for the t2g (dxz,dyz,dxy) orbitals of the titanium. How to decide these values? Best regards. -- Zafer Kandemir Postdoctoral Researcher - Theoretical Physicist Me