Page 1 of 1

Information on the plane waves

Posted: Fri Oct 05, 2007 9:11 am
by janbor
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

Information on the plane waves

Posted: Fri Oct 05, 2007 10:54 am
by janbor
I found it - it is in WDES%IGX(:,:) (X=X,Y,Z). From what I can tell
it is not stored anywhere on file, but I'll make do.

Information on the plane waves

Posted: Mon Oct 08, 2007 7:35 am
by admin
the PWs are nowhere explicitely written by vasp, you are right, you have to insert the write statement if you need that information