Of course. Assuming your start denisity is not to faw away from a real system, you can use variable cell optimization, and increase the target pressure. If you have 2 values for the pressure, you could could estimate by linear extrapolation the final pressure which corresponds to the target density.
Best regards Michael > hello!! > > i have a long polymer chain of about 420 atoms .. > can i compress it to target density of 1.35gm/cm3 using SIESTA?? > As i have seen in a paper in which people take a long chain of polymer and > wrap around cluster and then compress the system to target(bulk density) > using GROMACS. > > Can it be possible with SIESTA? if yes then please tell me how? > > thanks .. > -- Michael Schuch FB. Physik / AG. Statistische Physik Barbarastrasse 7 49069 Osnabrück
