Dear all, since I got no answer I whish to punctualize that I do not expect to be served: if you give me indications on how to improve the code I may try to do the job. Hopefully.
cheers, RG On Tue 13 Nov 2012, Roberto Guerra wrote: > Dear all, > > every time I try to make use of the optical routine of siesta I'm impressed > by its crawling. If a single scf cycle takes 1 hour, the optical calculation > took 30.9 days! > This is the opposite of what happens in plane-wave codes, where the > proportion of scf-vs-optical time consumption is the opposite: hours for scf, > and minutes for optical EPSIMG. > > So I'm asking the developers: is there any technical reason for a such > frustrating slowness of siesta-optical? Is there any space for substantially > improving this routine? > > thank you, > RG >
