On Tue, 2012-11-27 at 17:31 +0000, Ben Palmer wrote: > Sorry if there is a simple answer to this.
not sure it is "a simple answer", but the file PW/Doc/INPUT_PW.* contains a detailed description of the many ways to pass as input the desired crystal structure P. -- Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
