Re: [SIESTA-L] Request about a semi-core pseudopotential of gallium

2013-03-09 Por tôpico Mostafa Shabani
http://icmab.cat/leem/siesta/Databases/Pseudopotentials/Pseudos_GGA_Abinit/Ga-3d_html/Ga-3d.html On Tue, Mar 5, 2013 at 11:40 AM, 隆小江 longxiaojiang@163.com wrote: dear siesta users, I'm calculating structures of some gallium based clusters with siesta code, but I don't have the

[SIESTA-L] how to implemente doping option in the LDA+U version

2013-03-09 Por tôpico Patriot Pershing
Dear siesta devlopper's and user's i would add doping option to the LDAU version of siesta software so i would ask where is the main program in which i can add the doping subroutine call since i have tried to find it but no results and which files i must change best regards