[Wien] (no subject)
Karima Karim
karimaphy at yahoo.fr
Sun Nov 10 01:37:02 CET 2013
Dear Gavin
the LaO2.energydn file.
is 198.34700198.70000200.24747 0.23247 0.23247 0.23247 0.23247 0.23247 0.23247 0.23247 0.23247 0.23247 0.23247 0.00000
-1.65300 -1.30000 0.24747999.00000 0.23247 0.23247997.00000999.00000999.00000999.00000999.00000999.00000
199.27000200.23247 0.23247 0.23247 0.23247 0.23247 0.23247 0.23247 0.23247 0.23247 0.23247 0.23247 0.23247 0.00000
-0.73000 0.23247999.00000999.00000 0.23247997.00000999.00000999.00000999.00000999.00000999.00000999.00000
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1 560 37 1.0
1 -1.77154070241844
2 -0.718682412394716
3 -0.666314211109483
4 -0.549691381928169
:::::::::::::::::::::::::::::::::::::::::::::::::::::::::
34 2.21169474728209
35 2.21528541962115
36 2.41343399886465
37 2.43097648171089
then after calcule band structure I found the energydn file.
198.34700198.70000200.24747 0.23247 0.23247 0.23247 0.23247 0.23247 0.23247 0.23247 0.23247 0.23247 0.23247 0.00000
-1.65300 -1.30000 0.24747999.00000 0.23247 0.23247997.00000999.00000999.00000999.00000999.00000999.00000
199.27000200.23247 0.23247 0.23247 0.23247 0.23247 0.23247 0.23247 0.23247 0.23247 0.23247 0.23247 0.23247 0.00000
-0.73000 0.23247999.00000999.00000 0.23247997.00000999.00000999.00000999.00000999.00000999.00000999.00000
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 1 560 37 1.0
1 -1.77154070241844
2 -0.718682412394716
3 -0.666314211109483
4 -0.549691381928169
5 -0.549472709725710
6 -0.549472709725690
7 0.227532421190735
:::::::::::::::::::::::::::::::::::::::::::::::::::::
33 2.19845644105427
34 2.21169474728209
35 2.21528541962115
36 2.41343399886465
37 2.43097648171089
thanks very mutch
so what is the solution
thanks
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