Diffusion in WC/W interfaces

Published: 21 November 2018| Version 1 | DOI: 10.17632/88fwsfd3t5.1
Contributor:
Emil Edin

Description

Relaxed starting point POSCARs Relaxed saddle point POSCARs Relaxed final point POSCARSs For all saddle point searches in the 10-10/100 and 0001/111 -WC/W interfaces. Relaxed starting point POSCARs Relaxed saddle point POSCARs Relaxed final point POSCARSs For the saddle point searches in WC structure and W structure relaxed POSCARs for C-interstitials in bcc W part of the WC/W interfaces

Files