[Wien] plz help required

[arqum hashmi]

Thanks a lot Prof. Blaha for your explanation.

i am very thankful to you.
now it running well.


________________________________
 From: Peter Blaha <pblaha at theochem.tuwien.ac.at>
To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> 
Sent: Tuesday, May 1, 2012 10:08 AM
Subject: Re: [Wien] plz help required
 
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
_______________________________________________
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120501/1a633871/attachment.htm>