? 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 <kcbham...@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 <kcbham...@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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