polarization and multidataset
Posted: Mon Feb 28, 2011 7:52 am
Dear all,
i am working on polarization of Bifeo3.i have studied its tutorials.when i see input files in abinit about polarization tests/v5/t12.in and t13.in there is anoter part t12.in.FromPHermet and t13.in.From.PHermet that in those test there is ndtset 3 and multidataset but in t12.in and t13.in there is just one data and one xcart.what is the difference beteween t13.in and t13.in.FromPHermet?why one of this tests use multidataset to calculation of polarization and another no?
Best regards.
i am working on polarization of Bifeo3.i have studied its tutorials.when i see input files in abinit about polarization tests/v5/t12.in and t13.in there is anoter part t12.in.FromPHermet and t13.in.From.PHermet that in those test there is ndtset 3 and multidataset but in t12.in and t13.in there is just one data and one xcart.what is the difference beteween t13.in and t13.in.FromPHermet?why one of this tests use multidataset to calculation of polarization and another no?
Best regards.