Dear Gregorio, Are these PSP are well tested, particularly, Co, Ni, and Cr? Do you think these are useful for studying bulk properties of Co, Ni, Cr. It will be good if you share your experience with these PSP, I mean were you able to reproduced the published data (lattice constant, magnetic moment, etc) of Co, ni and Cr using these PSP. Thanks in advance. Mic
--- On Wed, 9/14/11, Gregorio García Moreno <[email protected]> wrote: From: Gregorio García Moreno <[email protected]> Subject: Re: [SIESTA-L] PSP problem To: [email protected], [email protected] Date: Wednesday, September 14, 2011, 10:24 AM Hi Carlo Yes, I can access to pseudos page. In the attached you can see the psf files for such atoms (pbe functionals). Gregorio El 9/14/2011 4:18 PM, Carlo Motta escribió: Dear Gregorio, thank you for your kind reply. Are you able to access the 'Pseudo and Bases' page? However, I would need psps for Ag, Fe, Mn, Cr, Co, and Ni. Regards, Carlo 2011/9/14 Gregorio García Moreno <[email protected]> Dear Carlo, I know nothing on the problem of siestawebpage. I have pseudopotentials files from siesta webpage from atoms such C, S, H, N, F and O atoms for pbe (also Cl) and ca functionals. You can see these files in the attached. Regards Gregorio El 9/14/2011 1:14 PM, Carlo Motta escribió: Dear Siesta users, I am trying to access the "Pseudo and Bases" page on the siesta webpage, in order to download some psf file. Unfortunately, since yesterday I cannot access that page. May you let me know if you have the same problem, and if is there another webpage where I can find siesta psp? Thank you very much, best regards, C. Motta -- Gregorio García Moreno PhD student Department of Physical and Analytical Chemistry University of Jaén
