N E dE d eps ncg rms rms(c)
DAV: 1 0.717201619071E+02 0.71720E+02 -0.71662E+03 2964 0.991E+02
DAV: 2 -0.106826251244E+02 -0.82403E+02 -0.79602E+02 3176 0.285E+02
DAV: 3 -0.115838602360E+02 -0.90124E+00 -0.89768E+00 3276 0.297E+01
DAV: 4 -0.115858770723E+02 -0.20168E-02 -0.20129E-02 3120 0.170E+00
DAV: 5 -0.115858873708E+02 -0.10298E-04 -0.10296E-04 3296 0.112E-01 0.148E+01
DAV: 6 -0.110110425338E+02 0.57484E+00 -0.82894E-01 2988 0.112E+01 0.405E+00
DAV: 7 -0.109323970870E+02 0.78645E-01 -0.16977E-01 3276 0.482E+00 0.954E-01
DAV: 8 -0.109288232423E+02 0.35738E-02 -0.39543E-03 2988 0.826E-01 0.181E-01
DAV: 9 -0.109289334540E+02 -0.11021E-03 -0.10474E-04 3316 0.131E-01 0.754E-02
DAV: 10 -0.109289366895E+02 -0.32355E-05 -0.11764E-05 3044 0.419E-02 0.666E-03
DAV: 11 -0.109289403617E+02 -0.36721E-05 -0.21030E-07 3204 0.498E-03 0.105E-03
DAV: 12 -0.109289393637E+02 0.99802E-06 -0.80735E-09 1576 0.104E-03 0.720E-05
DAV: 13 -0.109289394486E+02 -0.84964E-07 -0.28646E-10 1484 0.226E-04
1 F= -.10928939E+02 E0= -.10928939E+02 d E =-.109289E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.113462069192E+02 -0.41727E+00 -0.95963E+00 2924 0.425E+01 0.584E+00
DAV: 2 -0.109348142772E+02 0.41139E+00 -0.76662E-01 2896 0.108E+01 0.126E+00
DAV: 3 -0.109101876720E+02 0.24627E-01 -0.89729E-02 3092 0.371E+00 0.713E-01
DAV: 4 -0.109128216268E+02 -0.26340E-02 -0.14525E-03 2992 0.401E-01 0.149E-01
DAV: 5 -0.109129645835E+02 -0.14296E-03 -0.14984E-04 3212 0.134E-01 0.961E-03
DAV: 6 -0.109129662729E+02 -0.16894E-05 -0.14058E-06 3004 0.129E-02 0.147E-03
DAV: 7 -0.109129671070E+02 -0.83402E-06 -0.14722E-08 1800 0.148E-03 0.416E-04
DAV: 8 -0.109129670323E+02 0.74626E-07 -0.14867E-09 1484 0.508E-04
2 F= -.10912967E+02 E0= -.10912967E+02 d E =0.159724E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.111701255086E+02 -0.25716E+00 -0.54678E+00 2936 0.317E+01 0.564E+00
DAV: 2 -0.109448803323E+02 0.22525E+00 -0.38854E-01 2912 0.798E+00 0.897E-01
DAV: 3 -0.109289168281E+02 0.15964E-01 -0.58724E-02 3072 0.303E+00 0.923E-01
DAV: 4 -0.109305666022E+02 -0.16498E-02 -0.10426E-03 3032 0.347E-01 0.103E-01
DAV: 5 -0.109306719707E+02 -0.10537E-03 -0.13680E-04 3196 0.145E-01 0.113E-02