[Wien] format of case.klist_band
    Marcus Ekholm 
    marcus.ekholm at liu.se
       
    Thu Oct  8 11:26:30 CEST 2020
    
    
  
Dear all,
I cannot find any info on the format of the case.klist_band file.
For example, the first line of the template simple_cubic.klist:
R            20   20   20   40  8.0 -0.5  1.5      simple cubic  template
What is the meaning of 8.0 -0.5 1.5?
With best regards
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20201008/0d037efd/attachment-0001.htm>
    
    
More information about the Wien
mailing list