[Pw_forum] printing wavefunction on real grid

[Tone Kokalj]

On Tue, 2009-08-04 at 11:11 -0700, vtmtrinh at caltech.edu wrote:
> Dear Lorenzo,
> 
> Thank you for your help. I am still confused (I may be dump :-)).
> Yes, I agree that wavefunction at Gamma is real and thus will have a sign
> with it. However, |psi|^2 is a positive quantity. If we multiply |psi|^2
> by sign(psi) (which is segno in the code), then |psi|^2*sign(psi) will
> have a sign of sign(psi).  Why we want to have a sign with |psi|^2?

Perhaps, because you may then plot: sign(psi)\sqrt(|psi|^2) ...

Regards, Tone

-- 
Anton Kokalj
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia 
(tel: +386-1-477-3523 // fax:+386-1-477-3822)

Please, if possible, avoid sending me Word or PowerPoint attachments.
See:  http://www.gnu.org/philosophy/no-word-attachments.html