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- Version 6
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| 1 | ''This is a draft accumulation of the electronic structure and molecular dynamics codes hosted on nanoHUB. When complete, this page will link to both the tools and the supplemental material.'' | |||
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| 3 | ==Tools== | |||
| 4 | [[Resource(strainbands)]] | |||
| 5 | - | + | powered by: Electronic structure calculations performed by PWscf and Quantum-Espresso v3.2.2. Maximally-localized Wannier functions calculated by Wannier90 v1.0.2.
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| 7 | :This tool can be used to explore the influence of strain on first-principles bandstructures of semiconductors. | |||
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| 9 | [[Resource(dftqe)]] | |||
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| 11 | [[Resource(abinit)]] | |||
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| 13 | [[Resource(qclab)]] powered by GAMESS | |||
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| 15 | [[Resource(nmst_dft)]] powered by Seaquest | |||
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| 17 | [[Resource(matsimtk)]] powered by Strachan Group MD | |||
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| 19 | ==Supplemental Material== | |||
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| 21 | [/topics/MD Molecular dynamics simulations of materials] is a topics page on MD which summarizes some of the MD tools. | |||