We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
There was an error while loading. Please reload this page.
1 parent 2319777 commit 141c7adCopy full SHA for 141c7ad
source/module_io/write_vxc_lip.hpp
@@ -197,7 +197,7 @@ namespace ModuleIO
197
// for (int ir = 0;ir < potxc->get_veff_smooth().nc;++ir)
198
// exc_by_rho += potxc->get_veff_smooth()(0, ir) * chg.rho[0][ir];
199
// Parallel_Reduce::reduce_all(exc_by_rho);
200
- // exc_by_rho *= ((FPTYPE)GlobalC::ucell.omega * (FPTYPE)GlobalV::NPROC / (FPTYPE)potxc->get_veff_smooth().nc);
+ // exc_by_rho *= ((FPTYPE)ucell.omega * (FPTYPE)GlobalV::NPROC / (FPTYPE)potxc->get_veff_smooth().nc);
201
// std::cout << "xc all-bands energy by rho =" << exc_by_rho << std::endl;
202
//===== test total xc energy =======
203
//===== test total exx energy =======
0 commit comments