You can easily find the input file for Eu Psf on siesta website. Modify the inp file a little bit i.e. add or remove electrons from the required orbitals and then use ATOM program to generate ionic pseudopotential files.
Younas Khan On Sat, Oct 3, 2015 at 6:20 PM, Durga Banchhor <[email protected]> wrote: > Dear all, > I am a new user of siesta and i am interested to study Eu2+ and Eu3+ > doped systems for which I am trying to generate the pseudopotential > for Eu. I have tried to > create this file several time using examples for Oxegen and others. I > get the following error message. > > cp: cannot stat `VPSOUT': No such file or directory > cp: cannot stat `VPSFMT': No such file or directory > ==> Output data in directory Eu > ==> Pseudopotential in Eu..... > > Any other suggestions on what I am doing wrong? > > pg Europium > tm2 2.0 > n=Eu c=ca > 0.000 0.000 0.000 0.000 0.000 0.000 > 11 4 > 6 0 2.00 0.00 > 6 1 0.00 0.00 > 5 2 0.00 0.00 > 4 3 7.00 0.00 > 3.2000 3.2000 3.2000 3.2000 > > If any one have psf file of Eu kindly i request to share > > Thanking You. >
