On 6/25/11 12:47 PM, Mahdi Mirnezhad wrote: > Dear Users, > I need a NC PS for ZN, > any suggestion appreciated, > Thanks in advance,
You can download FHI98PP (google it), generate the Troullier-Martins pseudo there, and convert it to UPF using the QE upftools program fhi2upf. nicola -- ---------------------------------------------------------------------- Prof Nicola Marzari Department of Materials University of Oxford Chair of Materials Modelling Director, Materials Modelling Laboratory nicola.marzari at materials.ox.ac.uk http://mml.materials.ox.ac.uk/NM