回复： Re: [Wien] some questions about broadening

[hongbo wang]

Dear kevin,
   
          Thanks for your reply!
        
          I haven't recieved the message from you until recently. When I added an "#" before the 13th row in case.eles, it can run. So I think there are some small problems in the file SRC_telnes2. I don't konw whether I am right or not.
   
   
        Sincerely!

       Hongbo Wang

   
           
  

Jorissen Kevin <kevin.jorissen at ua.ac.be> 写道：
  Dear Hongbo Wang,


I replied to your e-mail, asking you to send your calculation to my private e-mail address. I haven't heard from you since. Did you fix the problem yourself? Did you get my message? Did you try to send your calculation?

Hope your calculations are going well,


Kevin.


Kevin Jorissen
University of Washington
Dept. of Physics
Box 351560
Seattle, WA-98195-1560
U.S.A.

phone +1 206 543 3904 
fax +1 206 685 0635 
e-mail kevin.jorissen at ua.ac.be 
web page http://fraangelico.phys.washington.edu/~jorissen

________________________________

From: wien-bounces at zeus.theochem.tuwien.ac.at on behalf of hongbo wang
Sent: Thu 3/22/2007 19:20
To: wien at zeus.theochem.tuwien.ac.at
Subject: [Wien] some questions about broadening


Dear wien users,

Now, I am calculating the energy loss near edge structure of wurzite AlN taking into account the relative orientation between sample and beam.

When I calculated the K spectrum, every step run well, but if I calculated L spectrum of Al, when I run "x broadening -c", it appeared some errors,like this:

forrtl: severe (59): list-directed I/O syntax error, unit 47, file /home/whb/wienwork/w-InN/w-InN.elnes
Image PC Routine Line Source 
broadening 0809EB0E Unknown Unknown Unknown
broadening 0809D1E1 Unknown Unknown Unknown
broadening 08074031 Unknown Unknown Unknown
broadening 08050636 Unknown Unknown Unknown
broadening 08050366 Unknown Unknown Unknown
broadening 08060097 Unknown Unknown Unknown
broadening 0805F85A Unknown Unknown Unknown
broadening 0804D9AE Unknown Unknown Unknown
broadening 08049B91 Unknown Unknown Unknown
libc.so.6 400D187C Unknown Unknown Unknown
broadening 08049AD1 Unknown Unknown Unknown
0.000u 0.004s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
error: command /home/whb/wien2k/broadening broadening.def failed

I can't solve this problem and need some help!

Best wishes!

Hongbo Wang




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