Re: [SIESTA-L] pseudo database; Zn configuration

2008-03-15 Thread Nidhi Sharma
Hi to all, I am trying to generate the pseudo potential of Sm and S. I am not able to define the last line of pseudo potential input file [rc(s) rc(p) rc(d) rc(f) rcore_flag rcore.] If this data is fixed then from where I can collect this data? Regards, Nidhi Yurko Natanzon [EMAIL

Re: [SIESTA-L] pseudo database; Zn configuration

2008-03-14 Thread Eduardo Anglada
Dear Andrei, On 13/03/2008, at 20:36, Andrei Postnikov wrote: Many thanks for Eduardo Anglada for uploading the ABINIT pseudos! Just two related questions: 1. Does somebody know whether there s a way to see from the .psf file if the core correction is included, and with which radius?

Re: [SIESTA-L] pseudo database;

2008-03-14 Thread Andrei Postnikov
On 13/03/2008, at 20:36, Andrei Postnikov wrote: | 1. Does somebody know whether there s a way to see from the .psf file if the | core correction is included, and with which radius? | On Fri, 14 Mar 2008, Eduardo Anglada wrote: | Just now there is no way, but I have all the info, of course