./iterations/neb0_image08_iter182_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 0.374193113238E+03 0.37419E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.356922514114E+01 -0.37062E+03 -0.35844E+03 863 0.196E+02
DAV: 3 -0.967647042853E+02 -0.10033E+03 -0.10003E+03 677 0.117E+02
DAV: 4 -0.101263843881E+03 -0.44991E+01 -0.44864E+01 720 0.283E+01
DAV: 5 -0.101351707626E+03 -0.87864E-01 -0.87810E-01 712 0.358E+00 0.227E+01
DAV: 6 -0.926644579447E+02 0.86872E+01 -0.30932E+01 720 0.300E+01 0.119E+01
DAV: 7 -0.917898336314E+02 0.87462E+00 -0.17242E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914137649263E+02 0.37607E+00 -0.54856E-01 720 0.398E+00 0.161E+00
DAV: 9 -0.913343699607E+02 0.79395E-01 -0.13002E-01 728 0.154E+00 0.420E-01
DAV: 10 -0.913263153677E+02 0.80546E-02 -0.44071E-02 736 0.109E+00 0.301E-01
DAV: 11 -0.913310694683E+02 -0.47541E-02 -0.13053E-02 608 0.593E-01 0.144E-01
DAV: 12 -0.913340652144E+02 -0.29957E-02 -0.27747E-03 633 0.249E-01 0.102E-01
DAV: 13 -0.913373791960E+02 -0.33140E-02 -0.14451E-03 634 0.197E-01 0.444E-02
DAV: 14 -0.913409135406E+02 -0.35343E-02 -0.95561E-04 722 0.207E-01 0.420E-02
DAV: 15 -0.913417781541E+02 -0.86461E-03 -0.23372E-04 704 0.102E-01 0.339E-02
DAV: 16 -0.913428437526E+02 -0.10656E-02 -0.24871E-04 685 0.888E-02 0.125E-02
DAV: 17 -0.913436160769E+02 -0.77232E-03 -0.73319E-05 664 0.397E-02 0.135E-02
DAV: 18 -0.913439238643E+02 -0.30779E-03 -0.42872E-05 597 0.317E-02 0.905E-03
DAV: 19 -0.913440021647E+02 -0.78300E-04 -0.22005E-05 544 0.260E-02 0.599E-03
DAV: 20 -0.913440329754E+02 -0.30811E-04 -0.42626E-06 447 0.121E-02 0.445E-03
DAV: 21 -0.913440434333E+02 -0.10458E-04 -0.25126E-06 464 0.944E-03 0.215E-03
DAV: 22 -0.913440513219E+02 -0.78886E-05 -0.17736E-06 401 0.725E-03
1 F= -.91344051E+02 E0= -.91349160E+02 d E =0.153263E-01