Dear PWSCF Users, Greetings... I want to use UPF type pseudopotential for my calculation and it is not available on espresso/pseuopotential website (www.pwscf.org). For my purpose, two things are possible 1. Generate pseudopotential using ld1.x script. and 2. to convert FHI (available on internet)to UPF using fhi2upf.x script.
I tried first way, and got error (due to i have not given correct input as i did not understand pseudo-gen/test.job and input file, i have seen earlier post on PWSCF-Forum also). and for second way, i do not get any information, how i proceeds? Plz. can anybody suggest me how FHI convert to UPF using fhi2upf.x script or suggest me how i understand the input file of pseudo-gen/test.job to run for UPF pseuopotential. Thanks in advanced. Kind Regards S K Gupta S. K. Gupta PhD Candidate, Dept. of Physics, Bhavnagar University. Bhavnagar, 364 002., Gujarat. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090618/e137ac88/attachment-0001.htm
