Dear Hui, As far as i know, opium package can directly generate *.psf format pseudopotential.
Regards, Hai-Ping On Nov 25, 2007 3:21 AM, Hui Tang <[EMAIL PROTECTED]> wrote: > Hi Haiping, > > I know we can use Opium package to generate PPs for various ab initio codes, > like ABINIT, PWSCF and CASTEP. However, I wonder if SIESTA can read those > formats, or we should do something to make those formats work with SIESTA. > It'll be great if you can tell me how you do it. > > Thanks, > Hui Tang > Department of Applied Physics, > Yale University, New Haven, CT06520 > > > ----- Original Message ----- > From: "lan haiping" <[EMAIL PROTECTED]> > To: <SIESTA-L@listserv.uam.es> > Sent: Saturday, November 24, 2007 3:15 AM > Subject: Re: [SIESTA-L] Ti Pseudopotential > > > > you can use Opium package to generate PP for siesta, just using the > > input file supplied > > at http://lorax.chem.upenn.edu/Research/psp_gga.html#Ti2. > > > > good luck > > > > > > On Nov 24, 2007 3:20 PM, M.Sairam Swaroop <[EMAIL PROTECTED]> wrote: > >> Dear Siesta Users > >> > >> I would be glad if someone could share a GGA flavor pseudopotential for > >> Ti > >> with me. > >> > >> warm regards > >> > >> swaroop > >> > >> -- > >> M.Sairam Swaroop > >> Theoretical Sciences Unit > >> JNCASR,Jakkur > >> Bangalore-64 > >> INDIA > >> > > > > > > > > -- > > Hai-Ping Lan > > Department of Electronics , > > Peking University , Bejing, 100871 > > [EMAIL PROTECTED], [EMAIL PROTECTED] > > > -- Hai-Ping Lan Department of Electronics , Peking University , Bejing, 100871 [EMAIL PROTECTED], [EMAIL PROTECTED]
