[Pw_forum] need help

[Paolo Giannozzi]

kola srinivas wrote:

> I am able to run in parallel with water adsorbed on the 
> TiO2 surface. the moment when i replaced water molecule with 
> 2-Cyano-3-phenyl-acrylic acid it is not doing any calculations in 
> parallel.

of course this happens for some other reason and not because
the code doesn't like 2-Cyano-whatever instead of water on TiO2

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy