[Pw_forum] Regarding pp.x producing negative coordinate

[Iftikhar Ahmad Niaz]

Hello

I was trying to post process the data after scf calculation using pp.x to
get the wavefunction.
I am specifying (0,0,0) as the origin. However, in the output the x
coordinate of the atoms are becoming (original coordinate value-a) and y
and z coordinate are becoming (a-original coordinate value), where a is the
lattice vector.
For example If the original coordinate was x y z, then it's becoming x-a,
a-y, a-z.
I also tried to specify e1,e2,e3 vectors and x0 but the output shows
default values from fft calculation.

Kindly let me know if I'm missing something.
Thanks a lot in advance.


-- 
Iftikhar Ahmad Niaz
Graduate Student Researcher
Department of Electrical and Computer Engineering <http://www.ece.ucsd.edu/>
University of California, San Diego <http://www.ucsd.edu/>
CA 92093,USA
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