You need to run joint with option 4 again. kram can only run when joint was run previously with option 4.
Thus for metals, run joint with option 6 first, write down the plasma frequency, and than run option 4. Am 01.05.2012 05:11, schrieb arqum hashmi: > Dear Wien2k users, > > i have a problem with optics calculation. i run one example of Al. x > optic and x joint works very well. i mention switch as 6 in Al.injoin to > calculate plasma frequency. then i put plasma frequency value in Al.inkram. > The error appearing in x kram when i choose 0 don't add intraband > contribution it works well but when i choose 1 to add intraband > contributions. then it gives this error > > xx > zz > Energy units: [eV] > Lorentzian broadening with gamma: 0.100000000000000 [eV] > 1001 data points > ENERGY INCREMENT: 1.361000000000000E-002 > forrtl: severe (59): list-directed I/O syntax error, unit 5, file > /home/hashumi/WIEN2k/Al/Al.inkram > Image PC Routine Line Source > kram 080A1ECB Unknown Unknown Unknown > kram 080A14EB Unknown Unknown Unknown > kram 08074BFE Unknown Unknown Unknown > kram 0805003C Unknown Unknown Unknown > kram 0804FCC6 Unknown Unknown Unknown > kram 08062B20 Unknown Unknown Unknown > kram 08061754 Unknown Unknown Unknown > kram 0804DA4E Unknown Unknown Unknown > kram 08049DF1 Unknown Unknown Unknown > libc.so.6 555EA8AC Unknown Unknown Unknown > kram 08049D31 Unknown Unknown Unknown > 0.004u 0.004s 0:00.00 0.0% 0+0k 0+0io 0pf+0w > error: command /home/hashumi/WIEN2k/kram kram.def failed > > > I also already check the mailing list, i find out this problem already but > not find out how to solve it. > > Please guide me how can i solve this problem.i will be very thankful to you. > > > Thanks and Regards > Arqum Hashmi > > > > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- Peter Blaha Inst.Materials Chemistry TU Vienna Getreidemarkt 9 A-1060 Vienna Austria +43-1-5880115671
