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 7/13/2015 1:19 AM, Peter Blaha wrote:
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,
A supercell calculation with lower kpoints is running and it's
converging very slowly.it <http://slowly.it> seems to take more time
than I have given at the time of submission of the calculation.If the
time gets over, it's not going to save any result.Is there any way to
use the result of that calculation for higher kpoints during running??
Thanks in advance.
--
Lokanath Patra
Ph.D Scholar
Dept. of Physics
School of Applied and Basic Sciences
Central University of Tamil Nadu
Thiruvarur
Tamil Nadu - 610101
Ph no - +91-8675834507
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