[Pw_forum] Pw_forum Digest, Vol 23, Issue 64

[Ali Tavana]

Dear Gabriele,

Yes, I had a starting magnetization but it suppressed after some iterations. The U is about 6 eV, and my compound is a high Tc cuprate. 

The difference between non-spin and spin input files is:

 nspin=2,
 starting_magnetization(1)=1
 Hubbard_U(1)=5.578

And about the phonons, I know one can calculate the phonons with LSDA in QE but in fact I was meaning the e-ph interaction, which seems is not implemented yet neither within LSDA or LSDA+U methods.