[Wien] what are the five columns in Case.Spaghetti_ene file?

[David Holec]

Hi Rahnama,
 
The first three columns correspond to coordinates of the particular k-point,
the 4th column is the total distance of your path in the k-space, and the
last column is the actual energy corresponding to this k-point and energy
band. Bands are listed below each other.
 
To plot the band structure you need only the 4th and 5th columns. The first
three are there mainly for you orientation and to allow you to label
important points in your band structure correctly.
 
David
 


  _____  

From: wien-bounces at zeus.theochem.tuwien.ac.at
[mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of hossien
rahnama
Sent: Sunday, August 19, 2007 11:15 AM
To: wien at zeus.theochem.tuwien.ac.at
Subject: [Wien] what are the five columns in Case.Spaghetti_ene file?



Dear Wien2k Users,
Thanks a lot for your attentions. I want to plot Band structure by use
Case.Spaghetti_ene file but I don't know, what are the five columns in this
file? Could you please let me know, how can I plot Band structure by
Case.Spaghrtti_ene file and or other files?
Best Regards,
Rahnama
 


  _____  

Luggage? GPS? Comic books? 
Check out fitting gifts
<http://us.rd.yahoo.com/evt=48249/*http://search.yahoo.com/search?fr=oni_on_
mail&p=graduation+gifts&cs=bz> for grads at Yahoo! Search.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20070820/a1064f21/attachment.html