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Refactor
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source/source_esolver/esolver_ks_pw.cpp

Lines changed: 2 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -645,8 +645,9 @@ void ESolver_KS_PW<T, Device>::iter_finish(UnitCell& ucell, const int istep, int
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//----------------------------------------------------------
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// 3) Print out electronic wavefunctions in pw basis
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//----------------------------------------------------------
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if (iter % PARAM.inp.out_freq_elec == 0 || iter == PARAM.inp.scf_nmax || conv_esolver)
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if (iter % PARAM.inp.out_freq_elec == 0 || iter == PARAM.inp.scf_nmax)
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{
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// conv_esolver == true has already been dealt with in after_scf
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ModuleIO::write_wfc_pw(GlobalV::KPAR,
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GlobalV::MY_POOL,
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GlobalV::MY_RANK,

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