Commit d200cb0c by Francois Gygi

Fixed coeffs of divergent terms for empty states


git-svn-id: http://qboxcode.org/svn/qb/trunk@1409 cba15fb0-1239-40c8-b417-11db7ca47a34
parent 37e230a2
...@@ -844,9 +844,9 @@ double ExchangeOperator::compute_exchange_for_general_case_( Sample* s, ...@@ -844,9 +844,9 @@ double ExchangeOperator::compute_exchange_for_general_case_( Sample* s,
{ {
double div_corr = 0.0; double div_corr = 0.0;
const double div_corr_1 = 2.0 * exfac * numerical_correction[iKpi]; const double div_corr_1 = exfac * numerical_correction[iKpi] * occ_ki_[i];
div_corr += div_corr_1; div_corr += div_corr_1;
const double e_div_corr_1 = - 0.5 * div_corr_1 * occ_ki_[i]; const double e_div_corr_1 = -div_corr_1;
exchange_sum += e_div_corr_1 * wf.weight(iKpi); exchange_sum += e_div_corr_1 * wf.weight(iKpi);
// add here contributions to stress from div_corr_1; // add here contributions to stress from div_corr_1;
......
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