[CPMD-list] Layer Density Of State calculation
fafa chiker
chikersba at yahoo.fr
Tue Jan 15 09:17:20 CET 2008
Dear CPMD users,
I am trying to do Layer Density of States calculation of
Silicondioxide interface
I am having problems with the output file: LDOS,
I can´t understand what means each column and how to differ from one
layer to other.....
many thanks
The LDOS output file is as follows:
<<<<<< NEW DATA >>>>>>
1 104 2
FERMI ENERGY: .00000
1 1 .0000 2.0000 .50000 .0000E+00
1 2 .0000 2.0000 .50000 .0000E+00
1 3 .0000 2.0000 .50000 .0000E+00
1 4 .0000 2.0000 .50000 .0000E+00
.
.
.
.
.
.
1 96 .0000 2.0000 .50000 .0000E+00
1 97 .0000 2.0000 .50000 .0000E+00
1 98 .0000 2.0000 .50000 .0000E+00
1 99 .0000 2.0000 .50000 .0000E+00
1 100 .0000 2.0000 .50000 .0000E+00
1 101 .0000 2.0000 .50000 .0000E+00
1 102 .0000 2.0000 .50000 .0000E+00
1 103 .0000 2.0000 .50000 .0000E+00
1 104 .0000 2.0000 .50000 .0000E+00
2 1 .0000 2.0000 .50000 .0000E+00
2 2 .0000 2.0000 .50000 .0000E+00
2 3 .0000 2.0000 .50000 .0000E+00
2 4 .0000 2.0000 .50000 .0000E+00
2 5 .0000 2.0000 .50000 .0000E+00
2 6 .0000 2.0000 .50000 .0000E+00
2 7 .0000 2.0000 .50000 .0000E+00
2 8 .0000 2.0000 .50000 .0000E+00
2 9 .0000 2.0000 .50000 .0000E+00
2 10 .0000 2.0000 .50000 .0000E+00
2 11 .0000 2.0000 .50000 .0000E+00
2 12 .0000 2.0000 .50000 .0000E+00
2 13 .0000 2.0000 .50000 .0000E+00
2 14 .0000 2.0000 .50000 .0000E+00
.
.
.
.
.
.
.
2 102 .0000 2.0000 .50000 .0000E+00
2 103 .0000 2.0000 .50000 .0000E+00
2 104 .0000 2.0000 .50000 .0000E+00
<<<<<< NEW DATA >>>>>>
1 104 2
FERMI ENERGY: .00000
1 1 .0000 2.0000 .50000 .1457E-01
1 2 .0000 2.0000 .50000 .2136E-01
1 3 .0000 2.0000 .50000 .2240E-01
1 4 .0000 2.0000 .50000 .8894E-02
1 5 .0000 2.0000 .50000 .1959E-01
---------------------------------
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