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minor fix
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docs/advanced/input_files/input-main.md

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@@ -3924,9 +3924,9 @@ Currently supported: `RPA`, `LDA`, `PBE`, `HSE`, `HF`.
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### init_fxc
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- **Type**: String
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- **Description**: The method to initalize the xc kernel.
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- "gs": Calculate fxc from the ground-state charge density.
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- "file_fxc": Read the xc kernel $f_\text{xc}$ on grid from the provided files. The following worlds should be the paths of ".cube" files, where the first 3 (spin-aa, spin-ab and spin-bb) will be read in. The parameter [xc_kernel](#xc_kernel) will be invalid. Now only LDA-type kernel is supproted as the potential will be calculated by directly multiplying the transition density.
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- **Description**: The method to initalize the xc kernel.
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- "gs": Calculate xc kerenel ($f_\text{xc}$) from the ground-state charge density.
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- "file_fxc": Read the xc kernel $f_\text{xc}$ on grid from the provided files. The following words should be the paths of ".cube" files, where the first 3 (spin-aa, spin-ab and spin-bb) will be read in. The parameter [xc_kernel](#xc_kernel) will be invalid. Now only LDA-type kernel is supproted as the potential will be calculated by directly multiplying the transition density.
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- "file_chg": Calculate fxc from the charge density read from the provided files. The following words should be the paths of ".cube" files, where the first [nspin]($nspin) files will be read in.
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- **Default**: "gs"
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source/module_lr/potentials/pot_hxc_lrtd.cpp

Lines changed: 1 addition & 1 deletion
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@@ -43,7 +43,7 @@ namespace LR
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double ef = 0.0;
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int prenspin = 1;
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std::vector<double> v2rho2_tmp(nrxx);
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ModuleIO::read_vdata_palgrid(GlobalC::Pgrid, GlobalV::MY_RANK, GlobalV::ofs_running, init_fxc[is + 1],
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ModuleIO::read_vdata_palgrid(pgrid, GlobalV::MY_RANK, GlobalV::ofs_running, init_fxc[is + 1],
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v2rho2_tmp.data(), ucell_in->nat);
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for (int ir = 0;ir < nrxx;++ir) { v2rho2[ir * spinsize + is] = v2rho2_tmp[ir]; }
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}

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