[Wien] how to increase number of k points through script [Revised]

[Laurence Marks]

?

init_lapw will recreate the initial density, so you would have to converge
again!

On Sat, Apr 23, 2016 at 2:12 PM, Dr. K. C. Bhamu <kcbhamu85 at gmail.com>
wrote:

> I think I got my answer my self.
> I should run init_lapw and then increase the k-points and then re-run
> init_lapw if one has to reduce the k-points.
>
>
> regards
> Bhamu
>
>
> On Sat, Apr 23, 2016 at 1:13 PM, Dr. K. C. Bhamu <kcbhamu85 at gmail.com>
> wrote:
>
>> Dear Wien2k experts
>>
>> I want to increase k points for optic program.
>> None program run on terminal. So,I run each program via script.
>> Everything is fine.
>> Now I want to increase number of k-points for optical properties so
>> please suggest me how to run "x kgen" through script (SGE) so that I can
>> increas the k-points.
>> I ran simply "x kgen" through sciprt but is not working:
>>
>>
>> forrtl: severe (24): end-of-file during read, unit -4, file
>> /proc/32169/fd/0
>> Image              PC                Routine            Line        Source
>> kgen               00000000004200F9  Unknown               Unknown
>> Unknown
>> kgen               0000000000403D72  MAIN__                    228  main.f
>> kgen               0000000000403316  Unknown               Unknown
>> Unknown
>> libc.so.6          000000365BA1ECDD  Unknown               Unknown
>> Unknown
>> kgen
>>
>> Please suggest me how to increase k-points through script.
>>
>> Sincerely
>> Bhamu
>>
>
>


-- 
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu ; Corrosion in 4D: MURI4D.numis.northwestern.edu
Partner of the CFW 100% program for gender equity, www.cfw.org/100-percent
Co-Editor, Acta Cryst A
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