Dear PWSCF, I am working on a system, which has a unit cell of body centered tetragonal. The Cartesian coordinates that I have are generated from a different set of primitive vectors:
p1=(a,0,0), p2=(0,a,0), and p3=(a/2, a/2, c/2 The primitive vectors for the same unit cell in INPUT_PW are different, which are: V1 = a/2(1,-1,c/a), V2=a/2(1,1,c/a), V3=a/2(-1,-1,c/a) Therefore, I cannot use the current coordinates that I have for the input to run pw.x. If I would like to add this option or change the primitive vectors in the code, could you show me which parts of the code that I should look at to do this. (I did a quick search, I see some possible files related to this, including PW/crystal_to_car.f90, and Modules/cell_base.f90, but I could not get to the right parts that I expect to see. Since I do not have much time left, it would help me a lot if you could help). I appreciate in advance very much for your help, Thank you, Trinh Vo JPL/CalTech
