On Tue, 2014-11-11 at 11:40 -0500, Manu Hegde wrote: > I am using this paper as reference for my K-points. > http://journals.aps.org/prb/pdf/10.1103/PhysRevB.74.195123
Please note that the option tpiba_b requires the k points in cartesian coordinates and in units of two pi over alat. Probably you need to use the crystal_b option if the k points are in crystal coordinates. Furthermore the weights of the k points must be the number of points in each line. xk1(1) xk1(2) xk1(3) nk1 (number of points of the line from xk1 to xk2) xk2(1) xk2(2) xk2(3) number of points of the next line HTH, Andrea > > Manu > > On Tue, Nov 11, 2014 at 3:37 AM, Paolo Giannozzi <[email protected]> > wrote: > > > On Mon, 2014-11-10 at 16:05 -0500, Manu Hegde wrote: > > > > > My outdir and prefix are consistent. I have double checked it. Could > > > you please point me which file has the error? > > > > I don't know and cannot know what you did, but I know for sure that > > your input files do not yield the problem you mention. Not for any > > version different from v.5.0.2 (that had the problem you mention). > > > > P. > > > > -- > > 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 > > [email protected] > > http://pwscf.org/mailman/listinfo/pw_forum > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- Andrea Dal Corso Tel. 0039-040-3787428 SISSA, Via Bonomea 265 Fax. 0039-040-3787249 I-34136 Trieste (Italy) e-mail: [email protected] _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
