electronic-structure topic

List electronic-structure repositories

Fortran-code-on-GitHub

269
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Directory of Fortran codes on GitHub, arranged by topic

SPMS-psps

19
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4
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SPMS table of pseudopotentials

theodore-qc

28
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8
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TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis

molsturm

20
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2
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A modular electronic structure theory code

Q_kp_multiband_ZB_strain

16
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1
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16
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Computes the electronic band structure of bulk ZB semiconductor with k.p models WITH STRAIN

vise

18
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8
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VASP Integrated Supporting Environment

ecalj

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18
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34
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The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).