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Co-authored-by: Thomas D. Kuehne <tkuehne@cp2k.org> Co-authored-by: Thomas Kuehne <kuehne88@users.noreply.github.com>
3 lines
309 B
TOML
3 lines
309 B
TOML
"H2_NATIVE_SKALA_GAPW_GTH_KP_INV_STRESS.inp" = [{matcher="E_total", tol=1e-8, ref=-0.94951222851689}]
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"H2_NATIVE_SKALA_GAPW_GTH_KP_SYM_STRESS.inp" = [{matcher="E_total", tol=1e-8, ref=-0.94951222851689}]
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"H2_NATIVE_SKALA_GAPW_GTH_KP_SPGLIB_STRESS.inp" = [{matcher="E_total", tol=1e-8, ref=-0.94951222851689}]
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