Dear All<br>I am a PhD. student.I am interested in molecular dynamics for metallic systems with external<br>pressure,but at first I began learning Car-Parrinello molecular dynamics and then I used it <br>for my system with small dt (I am sending its plots for you).Do using CP with small dtinstead <br>
of BO for metallic systems obtain correct result or not?<br>How can I find the best dt ,emass.emass_cutoff for my system in BOMD and CPMD()?<br>I want to find affect of external pressure on ions in my system and I must consider many ions<br>
in a big cell.can I use a smaller cell with fewer ions to find dt ,emass,...?<br>I look forward to hearing from you as soon as possible.<br>Thanks,<br>Mansoureh