Samir Ranjan Meher wrote: > Hi, > Can anyone please tell me how to generate or find out the Troullier-Martins > pseudopotential for Ga in UPF fromat. I am able to get it in > OCTOPUS, but not able to convert it into UPF format. Waiting for > your reply. > Thanks in advance.
You can use the ld1 code distributed with espresso. Another alternative is to use fhi98pp, and use the espresso converter from fhi to upf. nicola PS: I've edited your text. -- --------------------------------------------------------------------- Prof Nicola Marzari Department of Materials Science and Engineering 13-5066 MIT 77 Massachusetts Avenue Cambridge MA 02139-4307 USA tel 617.4522758 fax 2586534 marzari at mit.edu http://quasiamore.mit.edu