While studying the way to implement periodic boundary condition I stepped into this post, where I found a very instructive subroutine by Yvan Fournier. However, this script relied on the use of the arrays propce and propfa, which as far as I understand are now deprecated in 4.0. Is that correct?
If it is, can anybody suggest me how to translate the lines:
Code: Select all
iflmas = ipprof(ifluma(iu))
[...]
flown = flown + propfa(ifac,iflmas)
Thanks in advance for any answer and best regards,
Cosimo