Dear Axel,
I would like to ask several questions about maps and emc2.
- Do the structures generated in maps are based on stability? Or random? What is the representation to numbers of structures?
- In maps, whether the ratio of two atoms in the site is set to constant value or an interval? Such as, 0 0 0 75%A, 25%B.
- I don’t understand the output files of emc2. Such as mc10.out, 300,350,400 is temperature, the surplus is? Could you give me more information?
mc10.out:
300.00000 -0.369854 -0.394778 -0.777778 -0.394778 -0.000000 0.000000 -0.394778 -0.777778 -0.394778 -0.394778 -0.777778 -0.394778 -0.376668 -0.998535 -0.376824 1.000000 1.000000 -0.777778 0.555556 0.555556 0.555556 0.666667 0.555556 0.555556 0.555556 0.666667 0.666667 0.555556 0.666667 0.555556 0.611111 0.555556 0.555556 0.555556 0.555556 0.666667 0.555556 0.666667 0.666667 0.555556 0.611111 0.611111 0.666667 0.555556 0.555556 0.666667 0.666667 0.777778 0.555556 0.555556 0.555556 0.555556 0.666667 0.555556 0.611111 0.555556 0.555556 0.555556 0.666667 0.555556 0.777778 0.555556 0.555556 0.555556 0.611111 0.666667 0.666667 0.666667 0.555556 0.666667 0.555556 0.611111 0.666667 -0.333333
Thank you!
Ivan