Dear all,
What does "restart" in the case.dayfile mean as is shown in the following:
:ENERGY convergence: 1 0.1 .00185000
:CHARGE convergence: 1 0.1 -.052
restart
> stop
Best wishes!
Mingcui
Tongji university,China
-- next part -
There is an option described in the UG for run_lapw:
-r NUMBER -> restart after NUMBER (99) iterations (rm *.broyd*)
This option is used to remove the broyd files every n cycle, where n is
given by the NUMBER.
The "restart" means that the broyd files were removed as you reached the
specified N
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