./iterations/neb0_image07_iter271_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.371390871039E+03 0.37139E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.361998898214E+01 -0.36777E+03 -0.35651E+03 866 0.194E+02
DAV: 3 -0.963663399836E+02 -0.99986E+02 -0.99674E+02 664 0.116E+02
DAV: 4 -0.101164672920E+03 -0.47983E+01 -0.47867E+01 712 0.296E+01
DAV: 5 -0.101260393190E+03 -0.95720E-01 -0.95677E-01 728 0.377E+00 0.227E+01
DAV: 6 -0.926204592583E+02 0.86399E+01 -0.30960E+01 701 0.299E+01 0.119E+01
DAV: 7 -0.917601216452E+02 0.86034E+00 -0.17017E+00 736 0.612E+00 0.480E+00
DAV: 8 -0.913846717111E+02 0.37545E+00 -0.54749E-01 736 0.400E+00 0.161E+00
DAV: 9 -0.913026704601E+02 0.82001E-01 -0.12721E-01 728 0.152E+00 0.421E-01
DAV: 10 -0.912936273438E+02 0.90431E-02 -0.43651E-02 744 0.105E+00 0.297E-01
DAV: 11 -0.912985303020E+02 -0.49030E-02 -0.13058E-02 613 0.585E-01 0.152E-01
DAV: 12 -0.913015876051E+02 -0.30573E-02 -0.28468E-03 621 0.233E-01 0.105E-01
DAV: 13 -0.913054260644E+02 -0.38385E-02 -0.20365E-03 646 0.234E-01 0.492E-02
DAV: 14 -0.913087429242E+02 -0.33169E-02 -0.73571E-04 653 0.166E-01 0.282E-02
DAV: 15 -0.913100932525E+02 -0.13503E-02 -0.17293E-04 672 0.732E-02 0.236E-02
DAV: 16 -0.913111418410E+02 -0.10486E-02 -0.23820E-04 693 0.969E-02 0.178E-02
DAV: 17 -0.913116162382E+02 -0.47440E-03 -0.48123E-05 674 0.400E-02 0.140E-02
DAV: 18 -0.913117555340E+02 -0.13930E-03 -0.26764E-05 544 0.300E-02 0.739E-03
DAV: 19 -0.913119290550E+02 -0.17352E-03 -0.22412E-05 489 0.221E-02 0.273E-03
DAV: 20 -0.913119526954E+02 -0.23640E-04 -0.23871E-06 512 0.748E-03 0.237E-03
DAV: 21 -0.913119808169E+02 -0.28122E-04 -0.45632E-06 406 0.135E-02 0.208E-03
DAV: 22 -0.913119842571E+02 -0.34402E-05 -0.99136E-07 496 0.594E-03
1 F= -.91311984E+02 E0= -.91316662E+02 d E =0.140345E-01