​dear users. I want to find the optimized value of RKmax and k-mesh for a half-metal compound. The charge convergence of the scf takes very long time and i want to use the old .clm for new one in finding RKmax or k-mesh process. When i save_lapw the old program and start new one by the previous .clm, is it necessery to run all of initial steps (i.e nn, sgroup, symmetry, lstart,...) for changing k-point (or RKmax) or changing only the value of k-point (or RKmax) is sufficient.I 'm not sure of the accuracy of the latter results. Is there other solution for this problem.
Best Regards.
_______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html