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Commit f506ae3

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dyzheng
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Fix: no mixing_restart for scf_oscillate with sc and DFTU
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source/module_esolver/esolver_ks_pw.cpp

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -836,7 +836,7 @@ void ESolver_KS_PW<T, Device>::iter_finish(const int iter, const bool conv_elec)
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{
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sc.higher_mag_prec =
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this->p_chgmix->if_scf_oscillate(iter, this->drho, PARAM.inp.sc_os_ndim, PARAM.inp.scf_os_thr);
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if(sc.higher_mag_prec)
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if(sc.higher_mag_prec && !PARAM.inp.dft_plus_u)
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{ // if oscillate, increase the precision of magnetization and do mixing_restart in next iteration
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this->p_chgmix->mixing_restart_step = iter + 1;
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}

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