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1 parent 1c9712a commit 4f0e78eCopy full SHA for 4f0e78e
source/module_hamilt_general/module_xc/xc_functional.cpp
@@ -231,6 +231,8 @@ void XC_Functional::set_xc_type(const std::string xc_func_in)
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// scaling_factor_xc.push_back(-1.0);
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// scaling_factor_xc.push_back(1.0);
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+
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+ //
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scaling_factor_xc[XC_GGA_X_ITYH] = -1.0;
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scaling_factor_xc[XC_GGA_C_LYPR] = -1.0;
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scaling_factor_xc[XC_GGA_X_B88] = 1.0;
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