> > (...) > !---------- > to Marcos Veríssimo Alves, > > Dear Marcos Veríssimo Alves, TZDP is predefined in siesta-3 and > siesta-trunk, even TZTP is predefined(thankful to siesta group). > Surely siesta-2 has no such option. When you look into the code > Src\basis_specs.f, you should see something like below > > write(6,'(/,2a,/,9(a,/))') > . 'size_name: Incorrect basis-size option specified,', > . ' active options are:', > . ' SZ or MINIMAL', > . ' SZP, SZSP, SZ1P, SZP1', > $ ' DZ ', > $ ' DZP, DZSP, DZP1, DZ1P or STANDARD', > $ ' DZDP, DZP2, DZ2P ', > $ ' TZ ', > $ ' TZP, TZSP, TZP1, TZ1P', > $ ' TZDP, TZP2, TZ2P', > $ ' TZTP, TZP3, TZ3P' > > I have used TZDP for quite a while and nothing wrong happened :-P > > Best Wishes, > lukuilin >
Hi Iukuilin, Thanks for calling my attention out for that. I haven't been using the 3 or trunk versions much lately, mostly LDA+U. I'll check it out in LDA+U as well - if it is indeed defined, that could make life easier :) Cheers, Marcos
