Commit 5eca1592 by Francois Gygi

Fix coefficients of divergence correction div_corr_1 when using spin and

k-points.


git-svn-id: http://qboxcode.org/svn/qb/trunk@1886 cba15fb0-1239-40c8-b417-11db7ca47a34
parent b33c2130
......@@ -795,7 +795,7 @@ double ExchangeOperator::compute_exchange_for_general_case_( Sample* s,
const double div_corr_1 = exfac * numerical_correction[iKpi] *
occ_ki_[i];
div_corr += div_corr_1;
const double e_div_corr_1 = -div_corr_1;
const double e_div_corr_1 = -0.5 * div_corr_1 * occ_ki_[i];
exchange_sum += e_div_corr_1 * wf.weight(iKpi);
// add here contributions to stress from div_corr_1;
......
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