Which systems and which quantities are you looking at?
And also, '' not getting good results'' compared to what? to theory or
to experimental values?
This is important to know.
Best regards
Federico Iori.
On 05/28/2014 09:03 AM, Swati Khatta wrote:
yes Sir I tried this also but not getting good results .I generated by
myself also , tested it but it also not working correctly .
Regards,
swati
On Wed, May 28, 2014 at 12:28 PM, Sonu Kumar <[email protected]
<mailto:[email protected]>> wrote:
Did you try this ?
http://departments.icmab.es/leem/siesta/Databases/Pseudopotentials/periodictable-gga-abinit.html
!!!
regards,
sonu
On Wed, May 28, 2014 at 9:12 AM, Swati Khatta
<[email protected] <mailto:[email protected]>> wrote:
Dear siesta Users,
I am working on the magnetic properties with GGA approximation
using siesta-3.1. But I am not getting good results of my
calculations Please provide me the correct input file of GGA
pseudopotential of Cr, Fe ,Mn. I'll be thankful of your
positive response .
Regards
swati
--
Dr. Federico Iori, PhD!
Dipartimento di Scienze e Metodi per l' Ingegneria (DISMI)
Universita' di Modena e Reggio Emilia
Via Amendola,2
Pad. Morselli
42122 Reggio Emilia (Italy)
