[CPMD-list] seednumber

Carina Backtorp carinabacktorp at hotmail.com
Thu Aug 28 18:04:16 CEST 2003


Dear all,

In order to have different initial velocities, we tested to change the "seed 
number" which is the value of "M" in the subroutine XRANF. For example: we 
use 2671957 instead of 100001(default value) for the seed number.
We did the same in the versions 3.5.1 and 3.5.3. But we got two different 
results for a MD simulation.

Does anyone know why we got two different results? Can one trust the result 
from the version 3.5.3? Or maybe the seed number cannot be changed? One have 
to use the default value?

This is an urgent problem for me, so if anyone can help me, I would be very 
grateful!
best regards

Carina Bäcktorp

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