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Opened Aug 16, 2019 by Matthias Redies@redies
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PBE_inbuild and PBE_libxc differ

For ZnO inp.xml_libxc sym.out inp.xml_inbuild I get a different bandgap:

PBE_libxc/out.xml
653:         <bandgap value="1.4851800408" units="eV"/>
1199:         <bandgap value="1.4870127025" units="eV"/>
1745:         <bandgap value="1.4984385093" units="eV"/>
2291:         <bandgap value="1.4964410452" units="eV"/>
2837:         <bandgap value="1.4964477130" units="eV"/>
3383:         <bandgap value="1.4964643140" units="eV"/>
3929:         <bandgap value="1.4965432463" units="eV"/>
4475:         <bandgap value="1.4965695811" units="eV"/>
5021:         <bandgap value="1.4965802947" units="eV"/>
5567:         <bandgap value="1.4965762143" units="eV"/>
6113:         <bandgap value="1.4965760069" units="eV"/>
6659:         <bandgap value="1.4965753444" units="eV"/>

PBE/out.xml
653:         <bandgap value="2.1879929045" units="eV"/>
1199:         <bandgap value="2.1631752158" units="eV"/>
1745:         <bandgap value="1.6982513222" units="eV"/>
2291:         <bandgap value="1.6497574698" units="eV"/>
2837:         <bandgap value="1.5147262231" units="eV"/>
3383:         <bandgap value="1.4580895172" units="eV"/>
3929:         <bandgap value="1.4515797992" units="eV"/>
4475:         <bandgap value="1.4774671322" units="eV"/>
5021:         <bandgap value="1.4761796709" units="eV"/>
5567:         <bandgap value="1.4820018222" units="eV"/>
6113:         <bandgap value="1.4810319293" units="eV"/>
6659:         <bandgap value="1.4816317551" units="eV"/>
7205:         <bandgap value="1.4816132706" units="eV"/>
7751:         <bandgap value="1.4816125697" units="eV"/>
8297:         <bandgap value="1.4816143790" units="eV"/>
8843:         <bandgap value="1.4816144173" units="eV"/>
9389:         <bandgap value="1.4816149141" units="eV"/>
                                                            

This is quite unusual and I have never seen that these two differ above numeric.

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Reference: fleur/fleur#301