[CPMD-list] Solid phase hydrocarbons.

[Diego Troya]

Hi

     I'm trying to run molecular dynamics calculations with solid
hydrocarbons. When I try to run geometry optimizations or low temperature
molecular dynamics simulations, the structures that I find have nothing to
do with the experimentally reported geometries in the Cambridge
Crystallographic database. I was wondering whether some of you had
faced this topic before. Does anyone have any experience with solid
phase hydrocarbons?

Regards,
Diego.