try a diferent density matrix construction
try a diferent density matrix construction

toxa81/sirius,dithillobothrium/SIRIUS,toxa81/sirius,electronic-structure/sirius,toxa81/sirius,electronic-structure/sirius,dithillobothrium/SIRIUS,toxa81/sirius,electronic-structure/sirius,electronic-structure/sirius,dithillobothrium/SIRIUS,electronic-structure/sirius,toxa81/sirius,electronic-structure/sirius,electronic-structure/sirius,dithillobothrium/SIRIUS,toxa81/sirius