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1 parent d8f3d9d commit b05c339Copy full SHA for b05c339
source/module_io/write_libxc_r.cpp
@@ -207,7 +207,7 @@ void ModuleIO::write_libxc_r(
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ofs.open(file_name);
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ofs.unsetf(std::ostream::fixed);
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- ofs << std::setprecision(PARAM.inp.out_xc_r[1]);
+ ofs << std::setprecision(PARAM.inp.out_wfc_r[1]);
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ofs << std::scientific;
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}
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@@ -238,11 +238,13 @@ void ModuleIO::write_libxc_r(
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write_data( "rho", rho, nspin );
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- if(1!=nspin && 2!=PARAM.inp.nspin)
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- write_data( "amag", amag, 1 );
+ if(1!=nspin && 2!=PARAM.inp.nspin) {
+ write_data( "amag", amag, 1 );
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+}
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- if(is_gga)
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- write_data( "sigma", sigma, (1==nspin)?1:3 );
+ if(is_gga) {
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+ write_data( "sigma", sigma, (1==nspin)?1:3 );
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switch( order )
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{
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