Re: [SIESTA-L] lattice parameter of GGA

he system are > downloaded from siesta website. But the calculated lattice parameters are > almost doubled than experimental value. Could anyone tell me where i am > wrong? Thank u very much. > > Chales > -- Sridhar Neelamraju PhD Student, Jansen Group Max-Planck-Institut

Re: [SIESTA-L] NaN problem in the documents

his prolem? > Best Wishes! > Shi > > > > -- > 穿越地震带 > 纪念汶川地震一周年<http://512.mail.163.com/mailstamp/stamp/dz/activity.do?from=footer> > > -- > 穿越地震带 > 纪念汶川地震一周年<http://512.mail.163.com/mailstamp/stamp/dz/

Re: [SIESTA-L] xyz format input problem

Thank you. I realise the rather juvenile mistake. All seems to work fine now. Thanks Sridhar 2009/2/13 Javad Hashemi : > Hello Sridhar > > You have 25 coordinates. > > Javad > > > On Fri, 13 Feb 2009, Sridhar Neelamraju wrote: > >> Hello all, >> I have ju

[SIESTA-L] xyz format input problem

Hello all, I have just started using Siesta. I am attaching my input file. My system is basically an organic molecule with gold clusters on either side (27 atoms in total) and I want to do a PDOS calculation for this. Now, the problem is that the siesta does not like my input file. I get an error

[SIESTA-L] siesta download

. Also, I understand from previous mails on this list that SIESTA download link was not working for some time. Is it up and functioning now?? Kindly do reply. Thanks Sridhar Neelamraju Project Assistant, International Institute of Information Technology, Centre for Computational Natural Science and