iterations/neb0_image09_iter9_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 0.372294828750E+03 0.37229E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.213250204349E+01 -0.37016E+03 -0.35776E+03 877 0.196E+02
DAV: 3 -0.967602578238E+02 -0.98893E+02 -0.98570E+02 680 0.116E+02
DAV: 4 -0.101056231609E+03 -0.42960E+01 -0.42857E+01 704 0.275E+01
DAV: 5 -0.101140685450E+03 -0.84454E-01 -0.84403E-01 736 0.349E+00 0.225E+01
DAV: 6 -0.924772331998E+02 0.86635E+01 -0.30840E+01 704 0.297E+01 0.118E+01
DAV: 7 -0.916085098097E+02 0.86872E+00 -0.17570E+00 720 0.625E+00 0.477E+00
DAV: 8 -0.912323951584E+02 0.37611E+00 -0.55238E-01 712 0.403E+00 0.163E+00
DAV: 9 -0.911524597001E+02 0.79935E-01 -0.13205E-01 712 0.159E+00 0.430E-01
DAV: 10 -0.911442730579E+02 0.81866E-02 -0.35552E-02 744 0.977E-01 0.278E-01
DAV: 11 -0.911485313438E+02 -0.42583E-02 -0.11350E-02 613 0.583E-01 0.149E-01
DAV: 12 -0.911506233160E+02 -0.20920E-02 -0.17260E-03 648 0.242E-01 0.966E-02
DAV: 13 -0.911552433038E+02 -0.46200E-02 -0.32770E-03 627 0.321E-01 0.699E-02
DAV: 14 -0.911565401715E+02 -0.12969E-02 -0.52020E-04 776 0.178E-01 0.391E-02
DAV: 15 -0.911592719847E+02 -0.27318E-02 -0.77247E-04 652 0.158E-01 0.359E-02
DAV: 16 -0.911603249628E+02 -0.10530E-02 -0.11956E-04 744 0.788E-02 0.232E-02
DAV: 17 -0.911612946228E+02 -0.96966E-03 -0.21142E-04 757 0.852E-02 0.131E-02
DAV: 18 -0.911617203232E+02 -0.42570E-03 -0.42373E-05 664 0.340E-02 0.121E-02
DAV: 19 -0.911618400276E+02 -0.11970E-03 -0.12392E-05 496 0.207E-02 0.668E-03
DAV: 20 -0.911619314360E+02 -0.91408E-04 -0.25589E-05 476 0.267E-02 0.439E-03
DAV: 21 -0.911619415929E+02 -0.10157E-04 -0.23528E-06 520 0.110E-02 0.317E-03
DAV: 22 -0.911619573086E+02 -0.15716E-04 -0.51196E-06 389 0.139E-02 0.210E-03
DAV: 23 -0.911619593310E+02 -0.20225E-05 -0.76654E-07 488 0.670E-03
1 F= -.91161959E+02 E0= -.91166061E+02 d E =0.123060E-01