ERROR **** INPBAS **** NO BASIS FUNCTION FOR ATOMIC NUMBER 0
-
still... Bunch of conducting state errors... See my other question I posted yesterday
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MOQGAD TELAPSE 34.62 TCPU 27.32
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT SHELLXN TELAPSE 48.22 TCPU 40.80
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MONMO3 TELAPSE 48.96 TCPU 41.53
NUMERICALLY INTEGRATED DENSITY 520.0000438871
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT NUMDFT TELAPSE 50.47 TCPU 43.02
CYC 0 ETOT(AU) -5.435702682558E+03 DETOT -5.44E+03 tst 0.00E+00 PX 1.00E+00
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT DIIS TELAPSE 50.54 TCPU 43.09
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT FDIK TELAPSE 67.01 TCPU 59.44
INSULATING STATE
TOP OF VALENCE BANDS - BAND 260; K 4; EIG -3.5407947E-01 AU
TOP OF VALENCE BANDS - BAND 260; K 1; EIG -3.5465882E-01 AU
BOTTOM OF VIRTUAL BANDS - BAND 261; K 1; EIG -9.7720242E-02 AU
INDIRECT ENERGY BAND GAP: 6.9759 eV
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT PDIG TELAPSE 67.20 TCPU 59.63
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MOQGAD TELAPSE 67.21 TCPU 59.64
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT SHELLXN TELAPSE 82.51 TCPU 74.72
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MONMO3 TELAPSE 83.25 TCPU 75.45
NUMERICALLY INTEGRATED DENSITY 520.0000477011
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT NUMDFT TELAPSE 84.82 TCPU 77.01
CYC 1 ETOT(AU) -5.426772006556E+03 DETOT 8.93E+00 tst 0.00E+00 PX 1.00E+00
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT DIIS TELAPSE 85.84 TCPU 78.03
DIIS TEST: 0.21039E+02 AT SCF CYCLE 1 - MIX 30 %
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT FDIK TELAPSE 88.64 TCPU 80.80
POSSIBLY CONDUCTING STATE - EFERMI(AU) -7.6647369E-02 (RES. CHARGE 0.00E+00;IT. 0)
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT PDIG TELAPSE 88.82 TCPU 80.98
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MOQGAD TELAPSE 88.83 TCPU 80.99
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