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
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janbor
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Information on the plane waves
Last edited by janbor on Fri Oct 05, 2007 9:11 am, edited 1 time in total.
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janbor
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Information on the plane waves
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.
it is not stored anywhere on file, but I'll make do.
Last edited by janbor on Fri Oct 05, 2007 10:54 am, edited 1 time in total.
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admin
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Information on the plane waves
the PWs are nowhere explicitely written by vasp, you are right, you have to insert the write statement if you need that information
Last edited by admin on Mon Oct 08, 2007 7:35 am, edited 1 time in total.