[Wien] optimized RKmax

[Seyyed Amir Abbas Emami]

​Both calculations converged to -cc 0.0001 before 40 cycles, but the case with previous .clm converged rapidly. Actually i test these two calculation to be sure that the results are same or not. As i know in volume optimization also the old .clm use for next volume by clmextrapol_lapw technique. I use this technique and the result was different with the case without using previous .clm.  Also i use GGA-PBE as xc-potential.Can the value of the k-points be matter?  
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20150714/80f59060/attachment.html>