Paolo, can the QE 4.3 e-p suite handle "spin" yet, e.g., LDA+U? -Paul
-----Original Message----- From: pw_forum-bounces at pwscf.org [mailto:[email protected]] On Behalf Of Paolo Giannozzi Sent: Thursday, May 05, 2011 10:55 AM To: PWSCF Forum Subject: Re: [Pw_forum] electron-phonon interaction in QE 4.3 On May 5, 2011, at 16:49 , Nandan Tandon wrote: > Could you please elaborate on the "better alternatives". see http://epw.org.uk/, and an alternative implementation: http://prb.aps.org/abstract/PRB/v82/i16/e165111 > I want to calculate electron phonon coupling in semiconductors. QE calculates electron-phonon coupling in metals only P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. 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
