SIRIUS 7.5.0
Electronic structure library and applications
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#include <smearing.hpp>
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static double | dxdelta (double x__, double width__, int n__) |
static double | delta (double x__, double width__, int n__) |
static double | occupancy (double x__, double width__, int n__) |
static double | entropy (double x__, double width__, int n__) |
Methfessel-Paxton smearing.
Methfessel, M., & Paxton, High-precision sampling for Brillouin-zone integration in metals. , 40(6), 3616–3621. http://dx.doi.org/10.1103/PhysRevB.40.3616
Definition at line 102 of file smearing.hpp.
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Definition at line 163 of file smearing.cpp.
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Definition at line 151 of file smearing.cpp.
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Definition at line 137 of file smearing.cpp.
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Definition at line 175 of file smearing.cpp.