Dear FPMD user(s), I just relaxed the same system with PWSCF and FPMD and got *completely* different results. Forces and energies were even different for the starting configuration. I did an electron minimization on the system with CP and it agreed with PWSCF. I checked different electron minimization schemes within FPMD and they were all consistent with one another, so maybe it just isn't reading the pseudopotentials properly.
Nobody answered my last question about whether FPMD is being maintained, so maybe its not, but if there is another user out there, you should know : It may not be working properly. This is a great pity - its a very nice code. I can provide details (input files etc..) if anyone is interested. The PP's were downloaded from pwscf.org. Regards, Paul -- ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo Dr. Paul Tangney Theory of Nanostructured Materials Facility The Molecular Foundry Lawrence Berkeley National Lab. E-mail: PTTangney at lbl.gov 1 Cyclotron Road, Bldg 66 Phone: (510) 642-2635 Berkeley, CA 94720 Fax : (510) 643-9345 ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo
