ABINIT Discussion Forums

Dear All

I have a very small question about this tutorial.
Can this tutorial input file can be modified to run calculations of physical properties of semi-conductor because as this tutorial is for insulator?

Regards
Radhika

Short answer: yes, because at zero kelvin (the default conditions of codes like abinit) semiconductors are insulators. Longer answer: the response function part of abinit works as follows: phonons for metals, semiconductors/insulators; strains for metals, semiconductors/insulators; electric field for semiconductors/insulators (the theory used for the electric field response assumes nonmetallic behavior). Also, norm-conserving pseudopotentials work for all the above perturbations, while PAW has only been coded for phonons and for electric field.