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Saturday, December 16, 2017

NEW RELEASE: PAW datasets v.54!

After long and careful consideration we have decided to release a new set of POTCAR files (version 54) covering the periodic table.

You will find the new potentials on the download-portal.

Cheers, The VASP team.

Read more: NEW RELEASE: PAW datasets v.54!

NEW RELEASE: P4VASP 0.3.23

It has been quite some time since the last release, but now finally a new version of p4vasp is released!

P4vasp 0.3.23 contains several improvements and bug fixes:

  • Inverse Participation Ratio available in electronic applet.
  • Speed of MD can be set in Structure viewer/Control.
  • Numeric/Numarray support has been replaced by the NumPy support (including in the velocity autocorelation applet).
  • Bug in the Dielectric function has been fixed.

Hybrid improper Ferroelectricity

Hybrid Improper Ferroelectricity in a Multiferroic and Magnetoelectric Metal-Organic Framework

A. Stroppa, P. Barone, P. Jain, J. M. Perez-Mato, and S. Picozzi

Adv. Mater. 2013

Read more: Hybrid improper Ferroelectricity

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

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).

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