[Wien] running calculation

[Gavin Abo]

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