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BCM-structures.zip
Structure files (cif and vasp) and DFT calculations for the 12R and 10H polytypes of BCM in different magnetic and atomic configurations.
Ende nuk ka faqe të krijuara për këtë lloj burimi.
Resource Metadata
metadata modified | 6 vjet më parë |
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method | Density functional theory |
mimetype | application/zip |
modelling and simulation comments | PBE+U (Mn-d: 3 eV; Ce-d 1.5 eV; Ce-f 2.0 eV) |
size | 2,7 MiB |
software | vasp, cif2cell, findsym |
Ndryshimi i fundit | 27 qershor 2019 |
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U krijua | 25 qershor 2019 |
Formati | application/zip |
Licenca | Asnjë licencë e pajisur |