[Wien] About EECE SO

2012-11-28 Thread Peter Blaha
Whether you do initso right at the beginning or after a first runsp may depend on the case/purpose. Personally I like to compare results with/without so and with/without eece, so I do all possible calculations at least once. I recommend that first you use runsp -soand only when this

[Wien] About EECE SO

2012-11-26 Thread Francisco Garcia
Dear users, I have a question about the order in which -so and -eece calculations are run. (a) First -so. In the userguide, the steps are runsp_lapw... (without -so flag)-initso---runsp_lapw -so.. I would like to know if above set of steps is equivalent to any of the two steps