Next:
Contents
Contents
Introducing k-Point Parallelism into VASP
Asimina Maniopoulou
HECToR CSE Team, NAG Ltd., UK
support@nag.co.uk
Contents
Introduction
VASP
The Parallelisation of VASP
Introducing k-point Parallelism
Implementation of k-point parallelism
Benchmarking
Test Case 1
Test Case 2
Test Case 3
Test Case 4
Test Case 5
Limitations/Constraints
Applications
Dielectric Function of Epitaxially Strained Indium Oxide.
Solution energies of tetravalent dopants in metallic
Conclusions
Acknowledgements
Bibliography
About this document ...
Asimina Maniopoulou 2011-07-09
