File:Pressure energy volume.png

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Summary

Figure plotting absolute pressure and total energy of separate y-axes, with lattice parameter on the x. This is for two different energy cutoffs, one with Pulay stress and one without. Diamond 2x2x2 k-point mesh

File history

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Date/TimeThumbnailDimensionsUserComment
current09:55, 18 July 2024Thumbnail for version as of 09:55, 18 July 2024812 × 1,136 (134 KB)Csheldon (talk | contribs)
12:40, 17 July 2024Thumbnail for version as of 12:40, 17 July 2024812 × 1,136 (137 KB)Csheldon (talk | contribs)Changed min to eq and stated that it is absolute pressure, not pressure that is plotted
12:32, 17 July 2024Thumbnail for version as of 12:32, 17 July 2024812 × 1,136 (131 KB)Csheldon (talk | contribs)Figure plotting pressure and total energy of separate y-axes, with lattice parameter on the x. This is for two different energy cutoffs, one with Pulay stress and one without. Diamond 2x2x2 k-point mesh

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