WARNING: DENTET: can't reach specified precision
Number of Electrons is NELECT = 399.879733672565
DAV: 7 -0.961539542911E+03 0.16778E+02 -0.55926E+01 2376 0.123E+01BRMIX: very serious problems
the old and the new charge density differ
old charge density: 399.99996 new 399.87969
0.377E+00
DAV: 8 -0.961712322861E+03 -0.17278E+00 -0.27215E+00 2376 0.315E+00BRMIX: very serious problems
the old and the new charge density differ
old charge density: 399.87969 new 399.99996
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