Dear Yosuke, first I wish a happy new year to everyone!
By chance, the paper you mentioned, is it this one? "Finding transition states for crystalline solid-solid phase transformations" by Caspersen, K.J.; Carter, E.A. in Proceedings of the National Academy of Sciences of the United States of America vol.102, no.19 : 6738-43 , 10 May 2005 Best wishes, Katalin > Hi Huiqun Zhou > In regular implementation of these methods as in the present version of the > code, it does not make sense to study the pressure-induced transition. > There was, however, an interesting and possibly useful paper about extending > the NEB to the case of phase transtions (I believe) by Emily Carter in PNAS. > I cannot remember the exact reference (Sorry, I am out of town and cannot > check it for you) but very recent. > Yosuke > >> >> Could anyone give me a pointer whether it's theoretically >> reasonable to investigate solid state >> transition induced by pressure using NEB or string method? >> >> Any references are appreciated. >> >> Happy New Year! >> >> Huiqun Zhou >
