Dear all, Have anyone by any chance tested the melting point of a bunch of water molecules with SIESTA?
I just tried it using 96 H2O molecules at T = 275K and no melting yet after 6000 MD steps (1fs each step). Thanks in advance, Alan. -- Alan Barros de Oliveira, Professor Universidade Federal de Ouro Preto Instituto de Ciências Exatas e Biológicas Departamento de Física Campus Morro do Cruzeiro Ouro Preto, MG, Brasil. 35400-000. Phone: +55 31 3359 1677 Cell: +55 31 9110 3468
