diff --git a/qpms/ewald.c b/qpms/ewald.c index 874701d..52f9a43 100644 --- a/qpms/ewald.c +++ b/qpms/ewald.c @@ -139,7 +139,7 @@ int ewald32_sigma0(complex double *result, double *err, const double eta, const double k) { qpms_csf_result gam; - int retval = complex_gamma_inc_e(-0.5, -k/sq(2*eta), &gam); + int retval = complex_gamma_inc_e(-0.5, -sq(k/(2*eta)), &gam); if (0 != retval) abort(); *result = gam.val * c->legendre0[gsl_sf_legendre_array_index(0,0)] / 2 / M_SQRTPI;