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Added missing imaginary number in ucorr
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ttadano committed Nov 29, 2018
1 parent fd47005 commit 1d1e034
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Showing 2 changed files with 3 additions and 3 deletions.
4 changes: 2 additions & 2 deletions anphon/thermodynamics.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -324,7 +324,7 @@ double Thermodynamics::disp_corrfunc(const double T_in,
unsigned int ik, is;
double omega;
double phase;

const std::complex<double> im(0.0, 1.0);
double ret = 0.0;

if (classical) {
Expand Down Expand Up @@ -362,7 +362,7 @@ double Thermodynamics::disp_corrfunc(const double T_in,

ret += real(std::conj(evec_in[ik][is][ncrd1])
* evec_in[ik][is][ncrd2]
* std::exp(phase))
* std::exp(im * phase))
* (fB(omega, T_in) + 0.5) / omega;
}
}
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2 changes: 1 addition & 1 deletion anphon/write_phonons.h
Original file line number Diff line number Diff line change
Expand Up @@ -40,7 +40,7 @@ namespace PHON_NS

unsigned int anime_cellsize[3];
double anime_kpoint[3];
unsigned int shift_ucorr[3];
int shift_ucorr[3];

double in_kayser(const double) const;

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