tasks 0 and 2

Elk Users
mosahhar
2012-12-10
2013-06-11
  • mosahhar
    mosahhar
    2012-12-10

    Hi
    What's the difference between tasks 0 and 2? In manual both are refered as geometry optimization. (If I'm correct, it seems task 2 performs geometry optimization giving relaxed geometry, … and task 0 performs single point calculations as in ocmputational chemistry packages)