The defaults used by atoMEC were set in the initial development of the code. Since then, more advanced options have been added which significantly enhance the accuracy of the code. The defaults should be updated to use the "best" options (either most accurate or efficient, depending on the circumstance).
The defaults used by atoMEC were set in the initial development of the code. Since then, more advanced options have been added which significantly enhance the accuracy of the code. The defaults should be updated to use the "best" options (either most accurate or efficient, depending on the circumstance).