[Wien] Help required in analysis of BS

2011-01-01 Thread Subhra Kulshrestha
Respected Prof. Blaha and all WIEN2k users, ? I, Wish a happy new year? to all of you. ? We have computed band structure (BS) of?rare earth compound in B2 (bcc) phase under pressure.? It shows that the values of p bands (below the fermi level and respresented by red, green and blue

[Wien] Help required in analysis of BS

2011-01-02 Thread Peter Blaha
Either your struct file has a problem (wrong) or the generated k-mesh for the bandstructure is wrong. The case.struct file and k-mesh must be compatible with each other! Am 01.01.2011 07:38, schrieb Subhra Kulshrestha: > Respected Prof. Blaha and all WIEN2k users, > I, Wish a happy new year to all