Bugfix: in VASP.5.2.11

Unfortunately every new release immediately triggers a few bugfixes:

Bugfix to nmr.F: ) One call to SETDIJAVEC should have been to SETDIJ_AVEC_ONE_CENTER

Bugfix to us.F: ) An END SUBROUTINE SETDIJAVEC should have been END SUBROUTINE SETDIJ_AVEC_ONE_CENTER

Bugfix to david_inner.F: ) Could not be compiled without scaLAPACK. Can be now, but will not work correctly [still heavily under development anyway].

We are very sorry for the inconvience.

A multiferroic material to search for the permanent electric dipole moment of the electron

K. Z. Rushchanskii, S. Kamba, V. Goian, P. Vaněk, M. Savinov, J. Prokleška, D. Nuzhnyy, K. Knížek, F. Laufek, S. Eckel, S. K. Lamoreaux, A. O. Sushkov, M. Ležaić, and N. A. Spaldin

Nature Materials 9, 649 (2010).

We describe the first-principles design and subsequent synthesis of a new material with the specific functionalities required for a solid-state-based search for the permanent electric dipole moment of the electron. We show computationally that perovskite-structure europium barium titanate should exhibit the required large and pressure-dependent ferroelectric polarization, local magnetic moments and absence of magnetic ordering at liquid-helium temperature. Subsequent synthesis and characterization of Eu0.5Ba0.5TiO3 ceramics confirm the predicted desirable properties.