DearAll, Is the quantum-volume based NPT simulation of nanoparticles coded in the latest versions of quantum espresso, and if so, what part of the source code (I guess it is 'CP') and input parameters are relevant to turn on this feature? This is the paper I have in mind (PRL 94, 145501 (2005), DOI: 10.1103/PhysRevLett.94.145501) where calculations were done in espresso.
Thank you. Sincerely, P. Ganesh ========================================================= P. Ganesh, Ph.D., R&D Staff Member Center for Nanophase Materials Sciences Division Oak Ridge National Laboratory One Bethel Valley Road PO Box 2008, MS-6494 Oak Ridge, TN 37831-6494 USA Phone: +1-865-574-1999 FAX:+1-865-574-1753 Email: ganeshp at ornl.gov<http://ornl.gov> http://cnms.ornl.gov/contact_us/GANESH_Panchapakesan.pdf =========================================================
