MD simulations Phase IV-V H2

Magdau, Ioan-Bogdan; Borgulya, Balint; Tyson, Benjamin

Date Available

2019-05-13

Type

dataset

Data Creator

Magdau, Ioan-Bogdan
Borgulya, Balint
Tyson, Benjamin

Publisher

School of Physics and Astronomy. The University of Edinburgh

Relation (Is Referenced By)

https://www.era.lib.ed.ac.uk/handle/1842/22047

Metadata

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Citation

Magdau, Ioan-Bogdan; Borgulya, Balint; Tyson, Benjamin. (2019). MD simulations Phase IV-V H2, [dataset]. School of Physics and Astronomy. The University of Edinburgh. https://doi.org/10.7488/ds/2547.

Description

Data supporting the thesis "Theoretical investigation of solid hydrogen and deuterium" Magdau, Ioan-Bogdan (2016) [PhD thesis].

Pbcn_200GPa.cell (24.44Kb)

Pbcn_200GPa.param (789bytes)

Pbcn_200GPa.castep (24.48Mb)

Pbcn_200GPa.png (2.991Mb)

Pbcn_200GPa-out.cell (24.48Kb)

Pbcn_250GPa.cell (24.44Kb)

Pbcn_250GPa.param (789bytes)

Pbcn_250GPa.castep (24.50Mb)

Pbcn_250GPa.png (3.941Mb)

Pbcn_250GPa-out.cell (24.48Kb)

Pbcn_275GPa.cell (24.47Kb)

Pbcn_275GPa.param (789bytes)

Pbcn_275GPa.castep (24.50Mb)

Pbcn_275GPa.png (4.253Mb)

Pbcn_275GPa-out.cell (24.48Kb)

Pbcn_300GPa.cell (24.44Kb)

Pbcn_300GPa.param (789bytes)

Pbcn_300GPa.castep (24.51Mb)

Pbcn_300GPa.png (4.138Mb)

Pbcn_300GPa-out.cell (24.48Kb)

Pbcn_325GPa.cell (24.47Kb)

Pbcn_325GPa.param (789bytes)

Pbcn_325GPa.castep (24.55Mb)

Pbcn_325GPa.png (4.185Mb)

Pbcn_325GPa-out.cell (24.48Kb)

Pbcn_350GPa.cell (24.44Kb)

Pbcn_350GPa.param (789bytes)

Pbcn_350GPa.castep (24.57Mb)

Pbcn_350GPa.png (4.527Mb)

Pbcn_350GPa-out.cell (24.48Kb)

Pbcn_375GPa.cell (24.47Kb)

Pbcn_375GPa.param (789bytes)

Pbcn_375GPa.castep (24.60Mb)

Pbcn_375GPa.png (4.431Mb)

Pbcn_375GPa-out.cell (24.48Kb)

Pbcn_400GPa.cell (24.44Kb)

Pbcn_400GPa.param (789bytes)

Pbcn_400GPa.castep (24.62Mb)

Pbcn_400GPa.png (3.925Mb)

Pbcn_400GPa-out.cell (24.48Kb)

Pbcn_425GPa.cell (24.47Kb)

Pbcn_425GPa.param (789bytes)

Pbcn_425GPa.castep (24.65Mb)

Pbcn_425GPa.png (3.617Mb)

Pbcn_425GPa-out.cell (24.48Kb)

Pbcn_450GPa.cell (24.44Kb)

Pbcn_450GPa.param (789bytes)

Pbcn_450GPa.castep (24.68Mb)

Pbcn_450GPa.png (4.292Mb)

Pbcn_450GPa-out.cell (24.48Kb)

Pbcn_500GPa.cell (24.44Kb)

Pbcn_500GPa.param (789bytes)

Pbcn_500GPa.castep (24.75Mb)

Pbcn_500GPa.png (2.975Mb)

Pbcn_500GPa-out.cell (24.48Kb)

alldata.lattice (476.2Kb)

Pbcn_200GPa.lattice (43.58Kb)

Pbcn_250GPa.lattice (43.58Kb)

Pbcn_275GPa.lattice (43.58Kb)

Pbcn_300GPa.lattice (43.56Kb)

Pbcn_325GPa.lattice (43.35Kb)

Pbcn_350GPa.lattice (43.09Kb)

Pbcn_375GPa.lattice (43.09Kb)

Pbcn_400GPa.lattice (43.09Kb)

Pbcn_425GPa.lattice (43.09Kb)

Pbcn_450GPa.lattice (43.09Kb)

Pbcn_500GPa.lattice (43.09Kb)

ca.sh (855bytes)

license_text (17.00Kb)

The following licence files are associated with this item: