[Wien] Bandstructure with band character

yulihua-wuhan yulihua-wuhan at sohu.com
Thu Jul 10 17:03:05 CEST 2003


Dear Wien users:

         When I plot the Bandstructure with band character, I have a trouble: gnuplot only generate the general band plot (only some lines), without the l-decomposed project. I use the Wien2k_02 downloaded in 2002, December. 
         My process is :
         1.  Insert k-points in case.in1c,  change 4-->5
         2.  x lapw1 -band -c
         3.  x lapw2 -qtl -band -c
         4.  Edit case.insp
             jatom=2, jtype=2 and jsize=0.2 ( for atom2, s electrons)
         5.  x spaghetti

         I remember, in the Wien2k_01, must edit case.in2c: change FERMI method from TETRA to ROOT, then run lapw2,
         I do this, but the result is same.
         What is wrong in this case?   

         Thanks a lot
         Lihua Yu

    
 

      


          
         




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