FERMI ENERGY AND DENSITY MATRIX CALCULATION ON COMPUTED EIGENVECTORS
DENSITY MATRIX AT SCF CYCLE ( 6+1)
INSULATING STATE
TOP OF VALENCE BANDS - BAND 239; K 13; EIG -1.8435544E-01 AU
TOP OF VALENCE BANDS - BAND 239; K 1; EIG -2.0272751E-01 AU
BOTTOM OF VIRTUAL BANDS - BAND 240; K 10; EIG -1.3250874E-01 AU
INDIRECT ENERGY BAND GAP: 1.4108 eV
BOTTOM OF VIRTUAL BANDS - BAND 240; K 1; EIG -1.2014672E-01 AU
CORE DENSITY MATRIX CALCULATION
CORE DENSITY MATRIX CALCULATION
CORE DENSITY MATRIX CALCULATION
CORE DENSITY MATRIX CALCULATION
CORE DENSITY MATRIX CALCULATION
CORE DENSITY MATRIX CALCULATION
CORE DENSITY MATRIX CALCULATION
CORE DENSITY MATRIX CALCULATION
CORE DENSITY MATRIX CALCULATION
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT NEWK TELAPSE 690.22 TCPU 687.88
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TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT NEWK TELAPSE 690.52 TCPU 688.28
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