There are some already available on the website for LDA and GGA.
http://departments.icmab.es/leem/siesta/Databases/Pseudopotentials/periodictable-intro.html
And if you dont want to use these ones, you can generate one using the
ATOM program.
Cheers,
Jean-Jo
Dr Jean-Joseph Adjizian
Hi siesta users,
Is some one has the psf optimised of Boron (B).
thanks in advanceB. Aouchenni
I would calculate the tensor of polarisabity not raman spectroscopy ?
Le 27 févr. 2015 06:26, Suman Chowdhury sumanchowdhur...@gmail.com a
écrit :
As far as I am concern it is not possible to calculate raman spectroscopy
by using siesta. You can calculate other DFT code such as quantum espresso
