Dear QE usesrs, I wanted to have a clarification on the following sentence from the phonon calculations part of the manual: "After the namelist you must specify the q-vector of the phonon mode. This must be the same q-vector given in the input of pw.x.". The link for the following text is given below. http://www.quantum-espresso.org/user_guide/node31.html
In ph.x, we specify three values for q-vector (0,0,0) for gamma point, for example. However, in pw.x, the k points are often specified as K_POINTS automatic 4 4 2 0 0 0. I wanted to understand if these are related. If not, what does the above sentence mean. I am not sure but it might be a silly question to ask but I am trying to clear it in my head. Any insights will be highly appreciated. Best Regards, Vikas Varshney Computational Materials Scientist, Wright Patterson Air Force Base, Dayton OH
