New RSPt-beta
A new version of RSPt-BETA can now be downloaded from this site. We have added (thanks to Ann!) the new functional AM05 (see this link) as well as FFTW3.To use AM05 set the functional to 34. AM05 can only be used w/o spin polarization. FFTW3 can improve the speed of your calculation up to 50% compared to FFTW2 if the library is tuned correctly. NOTE! Please compile FFTW3 with the same compiler and the same options as when you compile RSPt due to the fuzzy fortran-C interface. NOTE!!!! We have also corrected a memory related bug in the code. Because of this you might see differences in the absolute total energy when comparing with older results depending on your compiler and computer. Energy differences have not been affected.