[Pw_forum] Relationship between pseudo-charge and wave function

[???]

Dear Paolo,

Thank you and SISSA group for your efforts. :)

I will try it! 

By the way, I have one thing to talk about. In PP routines, the contents in projected DOS are hard to read. I mean the "projwave.f90" routines. I think format of previous versions are better to see and work on it. The difference between format of previous versions and that of current version is ordering. However, if one get the all the data(previous version), one can work on it privately. Thus, I think it is good to recover the format of previous version in under development version. It is cheap to work. :) 

Thank you again for your replies and efforts!

Hosik

-----Original Message-----
From: pw_forum-admin at pwscf.org [mailto:pw_forum-admin at pwscf.org]On Behalf Of Paolo Giannozzi
Sent: Friday, June 13, 2003 9:01 PM
To: pw_forum at pwscf.org
Subject: Re: [Pw_forum] Relationship between pseudo-charge and wave function


Hi

> I plotted |psi(r)|^2 already.However, I want to know the phase information
> of wavefunctions additionally. That's the reason I asked.

this is implemented in the version under development:
   lsign       if true and k point is Gamma, save |psi|^2 sign(psi)
You can download it using anonymous cvs (see attached instructions)

> Do you mean that the ploting "real" wave functions with 
> ultrasoft PP is not implemented in "pw.x" but in "ASAFSIW" now?
> If it is, could I get "ASAFSIW" ?

the code for all-electron wavefunction reconstruction is almost,
but not yet, ready. When it will be ready (I hope soon), it will be 
added.

Paolo

-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
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