Dear Fariba: pp.x does it http://www.democritos.it/pipermail/pw_forum/2008-February/008350.html
If what is already implemented suits your needs, use it. If it doesn't just look into that code and see how it is done. HTH - SB - SISSA, Trieste --- Stefano Baroni - swift message sent on the go: pardon my brevity On Dec 15, 2012 7:13 AM, <nazari at iasbs.ac.ir> wrote: > Dear All, > I would like to obtain the wave-function coefficients u(i,k,G),It was > already answered that these coefficients are stored in wfc (For example in > the following form). I would like to obtain the r mesh for each row of > these data in order to construct the psi ( r). > > > > <Wfc.1 type="complex" size="57"> > > > > 9.923804753069295E-001, 0.000000000000000E+000 > > > > -1.370373698479858E-002,-7.528719895341745E-007 > > > > -1.370667926113648E-002, 3.548258344602723E-006 > > > > -1.370876780409445E-002,-5.498129996363651E-007 > regards > Fariba Nazari > IASBS > > > > > > > > -- > This message has been scanned for viruses and > dangerous content by *MailScanner* <http://www.mailscanner.info/>, and is > believed to be clean. > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20121215/c6c86627/attachment.html
