[Pw_forum] magnetic moment with LDA+U

[njudyp at sina.com]

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!
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140513/48a6f1c8/attachment.html>