Dear Riccardo and other users of Siesta I have a question regarding calculation a nanowires too (sorry, I know that this is not a question about a Siesta). Do you have any clue how to calculate a _bulk modulus_ of the nanowire? Maybe Siesta's tag "MD.TargetStress" can be used for this?
> although this is not a strictly Siesta related question and should not > probably asked in this forum, I can point out a couple of papers that > deal with this problem. Notice that there is no "right" answer and you > have to live with a certain degree of arbitrariness: -- Sincerely yours, Pavel B Sorokin mailto:pbsoro...@gmail.com
