On Mon, 2014-06-23 at 17:35 +0200, Valentina Cantatore wrote: > > I thought that turbo_lanczos and turbo_spectrum work only with > gamma_only. Clearly I was wrong.
I am afraid you are right. The problem is not Gamma vs not Gamma, however, but non-colinear vs colinear: I do not think that non-colienar calculations are implemented in TDDFT P. > > > Thank you. > > > Valentina > > > 2014-06-23 17:25 GMT+02:00 Paolo Giannozzi <paolo.giannozzi at uniud.it>: > On Mon, 2014-06-23 at 16:35 +0200, Valentina Cantatore wrote: > > > I need gamma_only option for the further calculations. Is > there a way > > to conciliate gamma_only and noncolin? > > > If the further calculations explicitly need Gamma-specific > tricks > (sure?): no. If however you just need to use k=0 in the > noncolinear > case, without Gamma-specific tricks (such as storing just half > of > the plane waves because the wavefunctions are real), then > > K_POINTS tpiba > 1 > 0.0 0.0 0.0 1.0 > > will do the job > > P. > > > Thank you very much for the answer. > > > > > > Valentina Cantatore > > PostDoc Researcher - Universit? del Piemonte Orientale > (Alessandria, > > Italy) > > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://pwscf.org/mailman/listinfo/pw_forum > > -- > Paolo Giannozzi, Dept. 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://pwscf.org/mailman/listinfo/pw_forum > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
