Dear Quantum espresso Community, I want to use the car parrinello molecular dynamics code cp.x, but first i want to ask some basics questions about this techniques:
1-What was the main motiviation for the use of the car parrinello md over the conventional variable cell relation (bfgs and damp)? 2-Is it 100% ab inition md? 3-Is there any gain in therms of accuracy or speed vs the conventinoanl vc-relax? 4-Can I use it on crystals? Thanks in advance. Youssef Aharbil, Laboratory of Physics and Chemistry of Materials Faculty of sciences Ben msik, Casablanca Morocco
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