Hi All, I want to include van der Waals corrections in my calculations. Therefore, I installed siesta-trunk-462. Is this version of siesta reliable in van der waals calculations? As I understand from previous messages and manual, I should change my previous input file as
XC.functional VDW XC.authors DRSLL (for ex. I choose this one) moreover I should also create a new pseudo potetials using with ATOM program for my atoms. When I create new pseudo potetials, can I use these potetials for vdW calculations? and doing by just these steps can I carry out reliable vdW calculations? Or is there anything to do. -- *Fadıl İYİKANATIzmir Institute of TechnologyGulbahce CampusFaculty of Science Department of Physics35430 Urla Izmir TurkeyPhone: +90 232 750 7691Fax : +90 (232) 750 7707*
