Thank you, Giovanni. I would like to ask another naive question. what is the 3-D FFT file? is it saved in tmp directory ,or else ?
Does the setting of npt have relation to the thickness of slab? Regards, Hai-Ping On 5/22/06, Giovanni Cantele <Giovanni.Cantele at na.infn.it> wrote: > > lan haiping wrote: > > > Dear developers, > > > > someone else mentioned that macroscopic average technique has > > been realized in average.x. > > I tried to read the code average.f90 , but i still donot know the > > INPUT file's format. Would you please explain more about the input > > variables ? thank you! > > > > Regards, > > > > Hai-Ping > > A typical input should look like this: > > 1 > filename > 1.0 > 3000 > 3 > 2.59 > > The explanation is in the header of the file PP/average.f90: > > ! nfile ! the number of 3D-FFT files > ! for each file: > ! filename ! the name of the 3D-FFT file > ! weight ! the weight of the quantity in this file > ! . > ! . > ! end > ! npt ! the number of points of the thick mesh > ! idir ! 1,2 or 3. It is the fixed index which defines > ! ! the planes of the planar average > ! awin ! the size of the window for macroscopic averages. > ! > > With the example above you'll get a 3-column output file for the > quantity to average > V(u): > - column 1: coordinate u, defined over a mesh of npt=3000 points along > the direction > idir=3 > - column 2: averaged quantity V > - column 3: macroscopically averaged quantity V', over a windows with size > awin=2.50 au > > If you want to average a weighted sum of different quantities V1,...,VN > defined over the same FFT mesh, just set nfile to N and specify N file > names > with the relative weight. > > Regards, > Giovanni > > -- > > > > Dr. Giovanni Cantele > Coherentia CNR-INFM and Dipartimento di Scienze Fisiche > Universita' di Napoli "Federico II" > Complesso Universitario di Monte S. Angelo - Ed. G > Via Cintia, I-80126, Napoli, Italy > Phone: +39 081 676910 > Fax: +39 081 676346 > E-mail: Giovanni.Cantele at na.infn.it > Web: http://people.na.infn.it/~cantele > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: /pipermail/attachments/20060522/091bc900/attachment.htm
