Dear Experts, I’m interested to know that how the amplitude of atomic displacements are defined in DFPT calculations? Apart from the mass term, I assume these displacements are small (how much?) compared to interatomic distances.
Yours, Sam ------------------------------- S. Azadi Imperial College London _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
