Hi, they should be in flib. Otherwise try this: find ./* |grep tabd
Matteo On Mon, May 12, 2014 at 6:50 PM, <njudyp at sina.com> wrote: > Dear all > > I use QE 5.0.1 to calculate the electronic property of Silicine. and > then I want calculate the magnetic property of ribbon of Silicine with > LSDA. but I can not find the magnetic moment of every atom of Si. I just > find the total magnetic moment and absolute magnetic moment. my question is > that how do I find the magnetic moment of every atom under LSDA > calculation? > > the another question is about the LDA+U calculation. I don't find magnetic > moment on atom Si, so I use LDA+U to calculate the ribbon of Silicne. but I > can't plus U on Si. because the Si is not on the list which we can plus U. > I read userguide, that we can modify the set_hubbard_l.f90 and tabd.f90. > but I don't find the set_hubbard_l.90 in the directory PW/src. so that I > can't modify the file. and then I still can not calculate the LDA+U on Si. > So which file should be modified and add Si on the list like O and N? > > however, we often calculate the magnetic property of material. and how to > find the spin moment and orbital moment in calculation? > > > > thank you very much! > > _______________________________________________ > 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/20140512/d152a8bc/attachment.html
