The scalar-relativistic effects of the transferability criterion of a Pseudo potential

For the purpose to improve the precision of the transferability criterion of a norm-conserving pseudopotential, in the case of heavy atoms, we have established a new expression, that takes into account the scalar-relativistic effects. The brought correction can be extensive directly in the case of linear methods of bands structure.For the purpose to improve the precision of the transferability criterion of a norm-conserving pseudopotential, in the case of heavy atoms, we have established a new expression, that takes into account the scalar-relativistic effects. The brought correction can be extensive directly in the case of linear methods of bands structure