Dear Users
I want to calculate elastic constant by espresso. I wrote my program for
calculation:
process of my program :
1- finding the optimized structure
2- making the different distortion for different component of elastic
tensor.
3- relaxing structures and finding the energy of them.
4- finally, analyzing the energy and derive elastic constant.
I have applied this process and WIEN2k code for NiTi B2 structure the result
is very good;
but i don't know why the results are not good by espresso?
thank you in advance
Rostam golesorkhtabar
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