HALTING

HALTING defines under which conditions execution should stop after a segment (e.g., after initialization or refcalc). A low value means execution will be stopped more readily.

Default: HALTING = 2 (stop for user confirmation of intermediate results)

Syntax:

HALTING = 1

Acceptable values:

• 1: stop for minor warnings

• 2: stop for confirmation of some intermediate results, e.g., when an AUXPOSCAR file is first generated, or major hiccups that suggest that something has gone seriously wrong

• 3: only stop if program crashes, or required input or data is missing

The default value of 2 should be sensible for most users. A value of 1 might make sense if the user is sceptical about the input. A value of 3 is not recommended, but can be applied by experienced users who are very sure of their input being correct, or who don’t care about wasting computational resources if it isn’t.