Dear PWscf experts, I have a problem about fortran coding for reading two set of wave-functions in one program. Actually I can read one set of wavefunctions for one structure. Now I would like to read another set for a new structure after reading the first one and then calculate some quantities based on two sets.
I find that O. Baris Malcioglu already posted a nice list about reading one set of wavefunction coefficients. But the problem for reading two sets is that a lot global variables, such as the variables in module 'kilist', will stay in memory and affect the next reading. I tried several ways to avoid this problem but didn't succeed. Because I am a newbie of mpi and fortran 90 coding, I ask for helps and ideas here. Thanks in advance. Xuhui Luo University of Illinois at Chicago
