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Fix: conv hard code thr for now
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source/source_esolver/esolver_ks_pw.cpp

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -623,8 +623,8 @@ void ESolver_KS_PW<T, Device>::iter_finish(UnitCell& ucell, const int istep, int
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double dexx = exx_helper.cal_exx_energy(this->kspw_psi);
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exx_helper.set_psi(this->kspw_psi);
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dexx -= exx_helper.cal_exx_energy(this->kspw_psi);
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conv_esolver = std::abs(dexx) < PARAM.inp.scf_ene_thr || exx_helper.exx_after_converge(iter);
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double exx_ene_thr = 1e-6;
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conv_esolver = std::abs(dexx) < exx_ene_thr || exx_helper.exx_after_converge(iter);
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if (!conv_esolver)
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{

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