On 11/5/11 8:41 AM, henry odhiambo wrote: > Hello everyone! > This may be trivial but just try, please. > Can anyone give me direction on how to calculate elastic constants using > Quantum ESPRESSO codes. > Thank you. > >
Dear Henry, indeed, please sign with name *and* affiliation. You can find some notes here (for Quantum-ESPRESSO), and references to more general discussions: http://ocw.mit.edu/courses/materials-science-and-engineering/3-320-atomistic-computer-modeling-of-materials-sma-5107-spring-2005/labs/lab_assignment2.pdf In particular look at the URL reported: http://cst-www.nrl.navy.mil/bind/static/example15/index.html that links to this paper: http://cst-www.nrl.navy.mil/users/mehl/papers/cij452.ps.gz nicola -- ---------------------------------------------------------------------- Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
