[Pw_forum] printing wavefunction on real grid

[Lorenzo Paulatto]

On Tue, August 4, 2009 04:20, vtmtrinh at caltech.edu wrote:
>  I think I can hard code, adding a few lines to print out psi in real
>  space.

Dear MyTrin,
You definitely can!

>
>  There is one part in the code 'local_dos' I don't understand is the case
>  where ', lsign=true', i.e. k=gamma and iflag=0, write |psi|^2*sign(psi),
>  why |psi|^2 has to multiply by sign(psi).  I read thru the code at this
>  part, but I still could not get it.

Maybe I've misunderstood your question, but that's exactly what the option
lsign is supposed to do. Wavefunctions in Gamma can be defined ti be real,
hence they have a well defined sign. Although, they can always be
multiplied by any complex number (-1 included) and still remain perfectly
good eigenvalues.

cheers

-- 
Lorenzo Paulatto
SISSA  &  DEMOCRITOS (Trieste)
phone: +39 040 3787 511
skype: paulatz
www:   http://people.sissa.it/~paulatto/



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