English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

In recent years, one-particle potentials (OPPs) derived from neutron-diffraction data have become a popular means to estimate activation energies of ion migration in solids. Computer programs for their calculation, however, have mostly been private in-house solutions. The software  CalcOPP  presented herein permits calculating two- or three-dimensional OPPs either from probability density functions put out by the crystallographic suite    Jana 2006 /   Jana 2020  (including error maps) or from scattering-density maps reconstructed using the maximum entropy method (MEM) implementation  Dysnomia . The title program is open-source, written in modern free-form Fortran and Python 3, and available free of charge under the permissive MIT License. Executables are published for 64-bit Microsoft Windows and Linux platforms and can be controlled via an intuitive graphical user interface or via command-line interface. Depending on the kind of input,  CalcOPP ’s output is readily visualized with standard crystallographic software or plotting applications. The release of the program not only makes the rather powerful OPP method more transparent, but it also opens it up to a broader, less programming-oriented public.

CalcOPP: a program for the calculation of one-particle potentials (OPPs)