iterations/neb0_image08_iter249_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 0.374511850764E+03 0.37451E+03 -0.14286E+04 624 0.799E+02
DAV: 2 0.386544086091E+01 -0.37065E+03 -0.35821E+03 869 0.196E+02
DAV: 3 -0.967844926400E+02 -0.10065E+03 -0.10033E+03 672 0.117E+02
DAV: 4 -0.101293094824E+03 -0.45086E+01 -0.44962E+01 720 0.285E+01
DAV: 5 -0.101379969786E+03 -0.86875E-01 -0.86827E-01 736 0.359E+00 0.228E+01
DAV: 6 -0.926668666701E+02 0.87131E+01 -0.31021E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.917932296927E+02 0.87364E+00 -0.17281E+00 728 0.613E+00 0.480E+00
DAV: 8 -0.914174351922E+02 0.37579E+00 -0.54173E-01 712 0.395E+00 0.162E+00
DAV: 9 -0.913376578277E+02 0.79777E-01 -0.13306E-01 736 0.156E+00 0.420E-01
DAV: 10 -0.913296673114E+02 0.79905E-02 -0.46120E-02 728 0.111E+00 0.307E-01
DAV: 11 -0.913345851927E+02 -0.49179E-02 -0.15415E-02 616 0.645E-01 0.159E-01
DAV: 12 -0.913373636416E+02 -0.27784E-02 -0.28459E-03 620 0.234E-01 0.114E-01
DAV: 13 -0.913410099498E+02 -0.36463E-02 -0.27412E-03 645 0.273E-01 0.551E-02
DAV: 14 -0.913441011627E+02 -0.30912E-02 -0.83275E-04 661 0.172E-01 0.265E-02
DAV: 15 -0.913455589495E+02 -0.14578E-02 -0.18149E-04 664 0.728E-02 0.200E-02
DAV: 16 -0.913465953015E+02 -0.10364E-02 -0.13798E-04 656 0.660E-02 0.992E-03
DAV: 17 -0.913471091397E+02 -0.51384E-03 -0.46658E-05 589 0.295E-02 0.107E-02
DAV: 18 -0.913472796349E+02 -0.17050E-03 -0.20696E-05 536 0.287E-02 0.447E-03
DAV: 19 -0.913473732497E+02 -0.93615E-04 -0.14555E-05 447 0.169E-02 0.394E-03
DAV: 20 -0.913473868133E+02 -0.13564E-04 -0.20079E-06 520 0.807E-03 0.238E-03
DAV: 21 -0.913474012578E+02 -0.14445E-04 -0.45139E-06 409 0.139E-02 0.257E-03
DAV: 22 -0.913474040128E+02 -0.27550E-05 -0.10948E-06 469 0.606E-03
1 F= -.91347404E+02 E0= -.91352390E+02 d E =0.149569E-01