[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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