[Pw_forum] How to get unfilled orbitals from ld1.x?

[Paolo Giannozzi]

Huolin Xin wrote:

> is it possible to trick ld1.x to calculate unbound states for me, 
> i.e. u_l(r,E>0)

ld1.x calculates unbound states when they are needed, e.g
in the calculation of logarithmic derivatives. If you want
them calculated "for you", I am afrais that you need to
modify the code

P.
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy