[Wien] scf cycle for large cell parameter.

[mayank gupta]

Hi I am a new wien 2k user i am trying to find the cohesive nergy of
Zr metal (hcp) structure . For this i am trying to calculate the total
energy of Zr crystal(assuming its a primitive cell) at large cell
parameter but as i am going beyond 10 A scf cycle doesn't work. there
is an error in lapw0.


-- 
Mayank kumar gupta
Contact No- 9220630179,09869834437