Dear Lijin, I have explained this one before in the forume. Please search the forum archive.
Please also provide your affiliation. Bests, Eyvaz. ------------------------------------------------------------------- Prof. Eyvaz Isaev, Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden Condensed Matter Theory Group, Uppsala University, Sweden Eyvaz.Isaev at fysik.uu.se, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com --- On Tue, 3/17/09, jin li <lijin.phy at gmail.com> wrote: > From: jin li <lijin.phy at gmail.com> > Subject: [Pw_forum] How to get the interatomic force constant tensor? > To: pw_forum at pwscf.org > Date: Tuesday, March 17, 2009, 4:33 AM > Dear all: > ?????? Following the example 06, alas444.fc has been > got. Would > somebody give me some explaination about this file? And > customarily, > the IFC matrix is > [ K11? K12? K13?... K1N ] > [ K21? K22? K23 ... K2N ] > [ ....???????????????????????...?? > ] > [ KN1? KN2? KN3 ...KNN] > How to transform this?IFC in?this file to the?above > form? > Best wishes, > lijin > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum
