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minor bugfix in chemical potential determination -- max/min energy de…
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…termination segfaulted when more processes than kpoints were used
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jcoulter12 committed Feb 24, 2024
1 parent 99162d8 commit 943fd61
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions src/statistics_sweep.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -302,11 +302,11 @@ StatisticsSweep::findChemicalPotentialFromDoping(const double &doping,
// when we have completely empty bands or completely full bands.
if (doping == 0. && temperature == 0.) {// case of computing fermi level
if (numElectronsDoped == 0.) {
fermiLevel = *min_element(energies.begin(), energies.end());
if(energies.size() > 0) fermiLevel = *min_element(energies.begin(), energies.end());
chemicalPotential = fermiLevel;
return chemicalPotential;
} else if (numElectronsDoped == float(numBands)) {
fermiLevel = *max_element(energies.begin(), energies.end());
if(energies.size() > 0) fermiLevel = *max_element(energies.begin(), energies.end());
chemicalPotential = fermiLevel;
return chemicalPotential;
}
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