[Wien] band structure plot problem again

Thanks. I have plotted it out. Thanks very much. wangjingjing at ciac.jl.cn ??2011-11-14

[Wien] band structure plot problem again

Sir, The band structure from my GGA+SOC+U calculation is strange. It is divided to several longitudinal thin rectangle instead of an integrated 2D plan. I have succeed in plotting band structure from GGA and GGA+SOC method. My steps are as following (GGA+SOC+U): x lapwso ?Cband ?Cup ?Corb

[Wien] band structure plot problem again

You are missing in your description: Generation of case.klist_band (from templates, xcrysden or by hand) x lapw1 -up -p -band x lapw1 -dn -p -band Otherwise, you use in lapwso the eigenvectors with the k-mesh of the normals scf cycle. Am 13.11.2011 03:26, schrieb ??: Sir, The band