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
