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change ucell in module_io/write_vxc_lip.hpp.cpp
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source/module_io/write_vxc_lip.hpp

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -197,7 +197,7 @@ namespace ModuleIO
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// for (int ir = 0;ir < potxc->get_veff_smooth().nc;++ir)
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// exc_by_rho += potxc->get_veff_smooth()(0, ir) * chg.rho[0][ir];
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// Parallel_Reduce::reduce_all(exc_by_rho);
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// exc_by_rho *= ((FPTYPE)GlobalC::ucell.omega * (FPTYPE)GlobalV::NPROC / (FPTYPE)potxc->get_veff_smooth().nc);
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// exc_by_rho *= ((FPTYPE)ucell.omega * (FPTYPE)GlobalV::NPROC / (FPTYPE)potxc->get_veff_smooth().nc);
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// std::cout << "xc all-bands energy by rho =" << exc_by_rho << std::endl;
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//===== test total xc energy =======
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//===== test total exx energy =======

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