• Gustav Bihlmayer's avatar
    Some modifications to make the program work with complex phases: · a799828d
    Gustav Bihlmayer authored
    changed phas(n) in spgrot.f to cc. Use cc of pgfft in pwden.F90,
    partially in fft(3,2)d(xc).f90, and of phas in cdnovlp.F90.
    Introduce complex phase & derived variables in q_int_sl.f90, hsint.F90,
    vacfun.f90, potdis.f90. Initializations in strgn.f90, real arguments
    for dot_product() in pwint(_sl).f90 & phasy1.f90. Stop message in
    rw_symfile.f changed to 'complex phases not fully tested'.
spgrot.f 1.24 KB