[Wien] "case.energy"

guohuaihong hhguo at imr.ac.cn
Thu Mar 31 14:28:39 CEST 2011


Dear wien2k users:

"case.energy" file contains eigenvalues of all k-points as we know. But some lines
are puzzling to me. 

i.e. in the "case.energy" as given below,

(1) What does the 1st two lines mean?
(2) The 1st K vector is given in 3rd line, followed by index number "1", "66", # of bands 
and weight. What does "66" means? How does the wien2k get this "66"? 

Please give me some tips. Thanks!

Sincerely,

H.H.Guo 

=============================================Al.energy===========================================================
200.30000200.30000  0.30000  0.30000  0.30000  0.30000  0.30000  0.30000  0.30000  0.30000  0.30000  0.30000  0.30000
  0.30000  0.30000999.00000999.00000997.00000 -4.27500999.00000999.00000999.00000999.00000999.00000999.00000
 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00         1    66    13  1.0
           1  -4.27557308151550
           2  -4.27557308151550
           3  -4.27557308151549
           4 -0.320332984815293
           5   1.42199292760371
           6   1.42199292760372
           7   1.42199292760372
           8   1.53061714600298
           9   1.53061714600299
          10   1.53061714600299
          11   1.70184039879129
          12   1.93420513481993
          13   1.93420513481993
 0.121951219512E-01 0.121951219512E-01-0.121951219512E-01         2    66    13  8.0
           1  -4.27557540199731
.........................................







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