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15 lines
792 B
Plaintext
15 lines
792 B
Plaintext
JDFTx is a software package for quantum chemistry computations.
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JDFTx supports all the standard functionality present in any electronic DFT
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software. It supports several semilocal, meta-GGA and EXX-hybrid
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exchange-correlation functions, with additional options available by linking to
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LibXC [18]. DFT+U [5] is available for treating localized electrons. Pair
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potential dispersion corrections [10] are available for including van der Waals
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interactions. JDFTx supports several formats of norm-conserving and ultrasoft
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pseudopotentials and comes pre-installed with an opens-ource library for each.
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With truncated Coulomb interactions [27], JDFTx enables accurate calculations
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of systems of any dimensionality from 0 to 3: molecules, wires, slabs/2D
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materials and bulk.
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WWW: http://jdftx.org/
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