[xcrysden] MgB2 Fermi Energy file problems.

Erkan Tetik erkantetik at gmail.com
Thu Apr 9 13:17:05 CEST 2009


Hi, my name is Erkan Tetik;

I have reviewed "MgB2.bxsf" file. Files in ;

 BEGIN_INFO
   Fermi Energy:     0.523040
 END_INFO
 BEGIN_BLOCK_BANDGRID_3D
 band_energies
 BANDGRID_3D_BANDS
 3
 13 13 10
      0.00000000      0.00000000      0.00000000
      0.19797900      0.00000000      0.00000000
      0.09898900      0.17145400      0.00000000
      0.00000000      0.00000000      0.15027000
 BAND:    7
 5.535900e-01 5.565960e-01 5.643610e-01 5.737380e-01 5.801700e-01
5.801700e-01
...
I did not understand what is happening in some values. For example;

"*13 13 10*" -> What is the this value represented and besides,

*0.00000000      0.00000000      0.00000000
0.19797900      0.00000000      0.00000000
0.09898900      0.17145400      0.00000000
0.00000000      0.00000000      0.15027000*
**
What is the this value represented.
regards.

Erkan TETİK
Cukurova University

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