Specifying Unit Cell in POSTCAR
Posted: Wed Dec 28, 2005 2:09 pm
Hi everybody,
I would like to know whether it is possible to specify the unit cell in POSTCAR file using lattice constants and the angles instaed of vectors and the scaling factor. If so could someone tell me how to do it by describing the format?
Thanks in advance for your suggestions
Radhakrishnan Balu
I would like to know whether it is possible to specify the unit cell in POSTCAR file using lattice constants and the angles instaed of vectors and the scaling factor. If so could someone tell me how to do it by describing the format?
Thanks in advance for your suggestions
Radhakrishnan Balu