Dear all I'm used the QHA package for Cv calculation in FCC structure and works very well. But now I try to use it for a Trigonal R (ibrav = 5) and it's not implemented yet in QHA, there is another way to calculate that.
Thanks all. -- Ibarra Hern?ndez Wilfredo Master student in Materials Science Cinvestav Unidad Qu?retaro Qu?retaro, M?xico
