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Search results for fortran first principles calculations
first-principles-calculations
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fortran
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3 search results found
Disorder
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36
A code for generating irreducible site-occupancy configurations
Ecalj
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25
The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).
Qeraman
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8
A open-source program for computing the first-order resonance Raman spectroscopy based on Quantum ESPRESSO
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