Hi Bing, This is a cosmetic bug that only affects the creation of the optional XML file. The psf file would still be correct.
The bug has been fixed in siesta-3.1-pl18, available on the Siesta website. Alberto On Oct 12, 2012, at 4:01 AM, Huang Bing wrote: > Hi, siesta users > > In ATOM User Manual (Version 3.2.8, 29 April 2008), 'rp' xc > functional is clearly shown to be supported, but when i specify > this xc in ATOM input file, after executing the program,an error > occurred: > ---------------------------------------------------------------------------- > ERROR(FoX) > xml_AddAttribute: Invalid character in value > ==> Output data in directory Pt_tm2 > ==> Pseudopotential in Pt_tm2.vps and Pt_tm2.psf > (and maybe in Pt_tm2.xml) > ---------------------------------------------------------------------------- > > It's found that the generated *.psf file was complete with > 'rp' written in the first line, but the corresponding *.xml > file was empty, so i'm wondering if 'rp' is supported in > reality. Anybody has encountered with this problem? > > Best regards, > > Bing >
