Thank you Axel.
On 05/17/2014 02:46 PM, Axel Kohlmeyer wrote:
>
>
>
> On Sat, May 17, 2014 at 9:56 AM, Elliot Menkah
> mailto:elliotsmenkah at yahoo.com>> wrote:
>
> Hello Everyone,
>
> I'm making an adsorption study of carbon monoxide(CO) on pure
> nickel(Ni) surfaces.
> I use t
Hello Everyone,
I'm making an adsorption study of carbon monoxide(CO) on pure nickel(Ni)
surfaces.
I use the pseudopotential Ni.pbe-nd-rrkjus.UPF to optimized the pure
nickel system.
Is it wrong to use C.pbe-van_ak.UPF for carbon and O.pbe-van_ak.UPF for
the oxygen rather than using C.pbe-rrkju
On Sat, May 17, 2014 at 9:56 AM, Elliot Menkah wrote:
> Hello Everyone,
>
> I'm making an adsorption study of carbon monoxide(CO) on pure nickel(Ni)
> surfaces.
> I use the pseudopotential Ni.pbe-nd-rrkjus.UPF to optimized the pure
> nickel system.
> Is it wrong to use C.pbe-van_ak.UPF for carbon
Hello Everyone,
I'm making an adsorption study of carbon monoxide(CO) on pure nickel(Ni)
surfaces.
I use the pseudopotential Ni.pbe-nd-rrkjus.UPF to optimized the pure
nickel system.
Is it wrong to use C.pbe-van_ak.UPF for carbon and O.pbe-van_ak.UPF for
the oxygen rather than using C.pbe-rrkj