Hi I also posted the same question, but I didn't get any answer from the group. we will be thankful, if some one shares his experience/knowledge that how to calculate the elastic constants. Thank you Mic
Sharat Chandra <[EMAIL PROTECTED]> wrote: Dear Siesta Users I want to know if some one has developed a procedure for elastic constants calculation using SIESTA? Right now, I am interested in calculation of elastic constants for Cubic materials (both magnetic and non magnetic), but I also would like to be able to calculate the elastic constants for tetragonal materials. If some one has developed such a procedure, can I please get the script/program code? Regards Sharat Chandra --------------------------------- Never miss a thing. Make Yahoo your homepage.