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

[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 semi-core pseudopotential of gallium, and it's
 hard for me to make and test the semi-core pseudopotential.
 Could you send me your semi-core pseudopotential of gallium (with
 electrons of  3d orbital include).
 I would appreciate it very much!

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

[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