[Pw_forum] printing wavefunction on real grid

[vtmtrinh at caltech.edu]

Thanks, Tone.

MyTrinh

> 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)
>
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