[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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