You might also want to search and read about .stop (to safely stop an
scf cycle before a time limit or scheduled interruption like a power
outage) and -s PROGRAM (to start from a previously good program step if
killed by a time limit or unscheduled interruption) in the WIEN2k
usersguide.
On
Thank you for your suggestions.
On Mon, Jul 13, 2015 at 2:12 PM, Gavin Abo gs...@crimson.ua.edu wrote:
You might also want to search and read about .stop (to safely stop an scf
cycle before a time limit or scheduled interruption like a power outage)
and -s PROGRAM (to start from a previously
Nothing is lost when a time limit kills your job.
Usually you can just resubmit the next job (and put -NI into the
run_lapw command).
For a higher k-mesh afterwards:
save_lapw first_mesh
x kgen (with more points)
run_lapw ...
On 07/13/2015 08:00 AM, lokanath patra wrote:
Dear users,
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