Hi Paolo, How much extra work would be required? Would a new gga pseudopotential be needed or could it be done with the existing ones? If it's too much work I will probably keep to the pz as it's working :)
Thanks Ben Palmer Student at University of Birmingham, UK > On Jan 5, 2013, at 22:29 , Ben Palmer wrote: > >> Message from routine stres: >> noncollinear stress + GGA not implemented >> >> I just wondered, are there any extra settings needed for the GGA >> pseudopotentials to work? > more than extra setting, you need extra work to implement the > calculation of the stress for noncollinear magnetism with GGA > > 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://pwscf.org/mailman/listinfo/pw_forum
