Dear Siesta users, I read in the Siesta 2.0 manual that their is a version of 'vibra' that takes into account the TO-LO splitting of phonons developed by Tom Archer at Trinity College in Dubline. I mailed Tom a while ago but have not yet received a reply. Does anyone know if Tom is still active on this front or an alternative source of such a modified 'vibra' code? If not I'll have to try and code it myself which could take a considerable amount of time!
Warm regards from London, Jonathan Breeze