<html><body><div style="color:#000; background-color:#fff; font-family:Courier New, courier, monaco, monospace, sans-serif;font-size:12pt"><div><span>Thanks a lot Prof. Blaha for your explanation.<br></span></div><div>i am very thankful to you.</div><div>now it running well.<br></div> <div style="font-family: Courier New, courier, monaco, monospace, sans-serif; font-size: 12pt;"> <div style="font-family: times new roman, new york, times, serif; font-size: 12pt;"> <div dir="ltr"> <font face="Arial" size="2"> <hr size="1"> <b><span style="font-weight:bold;">From:</span></b> Peter Blaha <pblaha@theochem.tuwien.ac.at><br> <b><span style="font-weight: bold;">To:</span></b> A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> <br> <b><span style="font-weight: bold;">Sent:</span></b> Tuesday, May 1, 2012 10:08 AM<br> <b><span style="font-weight: bold;">Subject:</span></b> Re: [Wien] plz help required<br> </font> </div> <br>
You need to run joint with option 4 again.<br>kram can only run when joint was run previously with option 4.<br><br>Thus for metals, run joint with option 6 first, write down the plasma <br>frequency, and than run option 4.<br><br>Am 01.05.2012 05:11, schrieb arqum hashmi:<br>> Dear Wien2k users,<br>><br>> i have a problem with optics calculation. i run one example of Al. x<br>> optic and x joint works very well. i mention switch as 6 in Al.injoin to<br>> calculate plasma frequency. then i put plasma frequency value in Al.inkram.<br>> The error appearing in x kram when i choose 0 don't add intraband<br>> contribution it works well but when i choose 1 to add intraband<br>> contributions. then it gives this error<br>><br>> xx<br>> zz<br>> Energy units: [eV]<br>> Lorentzian broadening with gamma: 0.100000000000000 [eV]<br>>
1001 data points<br>> ENERGY INCREMENT: 1.361000000000000E-002<br>> forrtl: severe (59): list-directed I/O syntax error, unit 5, file /home/hashumi/WIEN2k/Al/Al.inkram<br>> Image PC Routine Line Source<br>> kram 080A1ECB Unknown Unknown Unknown<br>> kram 080A14EB Unknown Unknown Unknown<br>> kram 08074BFE Unknown Unknown Unknown<br>> kram 0805003C Unknown
Unknown Unknown<br>> kram 0804FCC6 Unknown Unknown Unknown<br>> kram 08062B20 Unknown Unknown Unknown<br>> kram 08061754 Unknown Unknown Unknown<br>> kram 0804DA4E Unknown Unknown Unknown<br>> kram 08049DF1 Unknown Unknown Unknown<br>> libc.so.6 555EA8AC Unknown Unknown
Unknown<br>> kram 08049D31 Unknown Unknown Unknown<br>> 0.004u 0.004s 0:00.00 0.0% 0+0k 0+0io 0pf+0w<br>> error: command /home/hashumi/WIEN2k/kram kram.def failed<br>><br>><br>> I also already check the mailing list, i find out this problem already but not find out how to solve it.<br>><br>> Please guide me how can i solve this problem.i will be very thankful to you.<br>><br>><br>> Thanks and Regards<br>> Arqum Hashmi<br>><br>><br>><br>><br>><br>> _______________________________________________<br>> Wien mailing list<br>> <a ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<br><br>-- <br>Peter
Blaha<br>Inst.Materials Chemistry<br>TU Vienna<br>Getreidemarkt 9<br>A-1060 Vienna<br>Austria<br>+43-1-5880115671<br>_______________________________________________<br>Wien mailing list<br><a ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br><a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br><br><br> </div> </div> </div></body></html>