This is serious question. Generating pseudo potential (PP) is an art in itself. The input files for any generator would have to be done carefully with complete understanding. 

Am afraid someone here can explain for you to understand exactly what you have to do because there are several things you would have to know which maybe difficult to explain by post.

However, i strongly suggest that you find someone close to you who has knowledge in the generation process to guide you. This is the surest way to get a good transferable PP for your calculation. DFT calculation is all about PP. 

Another way is to get pre-prepared one and then test for transferability.

Am sorry unable to help properly.

Dear Elnaz,

You might find this a good starting point:

https://departments.icmab.es/leem/siesta/Databases/Pseudopotentials/periodictable-gga-abinit.html

and as an initial attempt to see how good it is, you could do the "delta test":

http://molmod.ugent.be/deltacodesdft

Hope that helps.

Phil Hasnip

https://departments.icmab.es/leem/siesta/Databases/Pseudopotentials/periodictable-gga-abinit.html

http://molmod.ugent.be/deltacodesdft

Dear Elnaz,

I was wondering if you used Atom program in order to generate .Psf file you needed.

If so, how did you determine the Rcore which is essential for Atom program to generate the .Psf .

I am working in Uranium based materials with siesta code. Kindly help me for getting or generating the pseudopotential for Uranium.

I think the source indicted by Hasnip a nd others are sufficient for your needs except that you just want to learn the art of generating your own pseudopotential.

thank you very much

I am working in Uranium based materials with siesta code. Kindly help me for getting or generating the pseudopotential for Uranium. In Siesta pseudopotential database, Uranium based pseudopotential is not available.

According to:

https://docs.siesta-project.org/projects/siesta/tutorials/basic/pseudopotentials/index.html

SIESTA can use the pseudopotentials from pseudo-dojo in a PSML format:

http://www.pseudo-dojo.org/

This has some Uranium potentials, so that sounds like a good place to start.

I am working in Uranium based materials with siesta code. Kindly help me for getting or generating the pseudopotential for Uranium. In Siesta pseudopotential database, Uranium based pseudopotential is not available.

For Uranium, maybe you can try these input in atom code:

pg Uranium Guess

tm2

n=U c=car

0.0 0.0 0.0 0.0 0.0 0.0

15 4

7 0 2.00 0.00

7 1 0.00 0.00

6 2 1.00 0.00

5 3 3.00 0.00

3.00 4.00 3.00 3.00

However I doesn't know if the results are good