[Wien] Band structure

Angelica Strutz angelica.strutz at gmail.com
Sun Apr 3 23:31:03 CEST 2005


Hello wien2k users,

Recently I tried to calculate the Band structures, but I had the
following problems:

First, I got the following error message when I tried to calculate the
"bandstructure with band character plotting":

Commandline: x lapw2 -band -qtl -up 
Program input is: "" 
PGFIO-F-252/list-directed read/unit=29/operation attempted after end of file.
 File name = FeAl_2.86.energydn    formatted, sequential access record = 849
 In source file fermi.f, at line number 66
0.147u 0.001s 0:00.14 100.0%    0+0k 0+0io 0pf+0w


Second, for a primitive unit cell of FeAl the plotting (without band
character plotting) was fine, but for a supercell
the plotting failed (the file is attached). 

Please advice how I can fix these problems.
Angelica.
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