Dear Q.J.Wang,
I don't know if Paolo refers to that, but the projections of atomic (orthogonalized) orbitals and eigenfunctions needed to build up the pDOS's are written together with the eigenvalues (plus other small data and dimensions) in the file $prefix.save/atomic_proj.xml Andrea > > the code writes a bunch of files in addition to the output file. I > think that all data > is there. In any case, 3s should be close to a full occupancy (2). I > guess you > also have 3p, also close to full occupancy (6) > > P. > --- > Paolo Giannozzi, Dept of Physics, University of Udine > via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- Andrea Ferretti MIT, Dept Material Science & Engineering bldg 13-4078, 77, Massachusetts Ave, Cambridge, MA Tel: +1 617-452-2455; Skype: andrea_ferretti URL: http://quasiamore.mit.edu Please, if possible, don't send me MS Word or PowerPoint attachments Why? See: http://www.gnu.org/philosophy/no-word-attachments.html
