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Update FORCE_gamma.cpp
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source/module_hamilt_lcao/hamilt_lcaodft/FORCE_gamma.cpp

Lines changed: 3 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -260,15 +260,16 @@ void Force_LCAO<double>::ftable(const bool isforce,
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if (PARAM.inp.deepks_out_unittest)
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{
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LCAO_deepks_io::print_dm(1, PARAM.globalv.nlocal, this->ParaV->nrow, dm_gamma); // 1 for gamma-only
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const int nks = 1; // 1 for gamma-only
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LCAO_deepks_io::print_dm(nks, PARAM.globalv.nlocal, this->ParaV->nrow, dm_gamma);
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GlobalC::ld.check_projected_dm();
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GlobalC::ld.check_descriptor(ucell, PARAM.globalv.global_out_dir);
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GlobalC::ld.check_gedm();
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GlobalC::ld.cal_e_delta_band(dm_gamma,1);
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GlobalC::ld.cal_e_delta_band(dm_gamma,nks);
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std::ofstream ofs("E_delta_bands.dat");
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ofs << std::setprecision(10) << GlobalC::ld.e_delta_band;

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