Re: [Wien] charge fluctuation

2015-07-05 Thread Laurence Marks
Any converged result is valid. Any method that works to obtain a converged result is correct - some methods may be faster than others. --- Professor Laurence Marks Department of Materials Science and Engineering Northwestern University http://www.numis.northwestern.edu Corrosion in 4D

Re: [Wien] charge fluctuation

2015-07-05 Thread Seyyed Amir Abbas Emami
​dear Gavin On what you said about clmextrapol_lapw when only lattice parameter is changed ( i mean the procedure that you mentioned): I read somewhere, that after run save_lapw , just changing the lattice parameter to new one and running run_lapw, is sufficient. I do that and the new