Information on the plane waves
Posted: Fri Oct 05, 2007 9:11 am
Is there a way I can access information on the plane waves that constitute
the full wave function? I find that the WAVECAR file has the weight of each,
but I can not seem to find the G-vector describing each of the plane waves.
In the source it is the array NPLWKP(K) that holds the number of plane waves,
but which array holds the G-vector for each plane wave?
Jan
the full wave function? I find that the WAVECAR file has the weight of each,
but I can not seem to find the G-vector describing each of the plane waves.
In the source it is the array NPLWKP(K) that holds the number of plane waves,
but which array holds the G-vector for each plane wave?
Jan