Dear All, when trying to understand the Examples of QHA, I saw that the script stops execution, when monoclinic or orthorhombic structures are tried to be calculated. Is there a way to get the gibb energy of a monoclinic structure at room temperature, anyway? Or is this "ttrinp" not neccesary to do such calculations? What is it for, anyways? I couldn't find any documentation on it...
Thanks a lot for input on this, Guntram
