iterations/neb0_image04_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 0.366958285645E+03 0.36696E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.103897665166E+01 -0.36592E+03 -0.35474E+03 858 0.195E+02
DAV: 3 -0.960234327409E+02 -0.97062E+02 -0.96772E+02 664 0.116E+02
DAV: 4 -0.100297764197E+03 -0.42743E+01 -0.42647E+01 704 0.277E+01
DAV: 5 -0.100381911126E+03 -0.84147E-01 -0.84119E-01 728 0.347E+00 0.223E+01
DAV: 6 -0.916775374955E+02 0.87044E+01 -0.31224E+01 690 0.298E+01 0.117E+01
DAV: 7 -0.908257789021E+02 0.85176E+00 -0.18273E+00 712 0.658E+00 0.485E+00
DAV: 8 -0.904208484028E+02 0.40493E+00 -0.54757E-01 704 0.459E+00 0.181E+00
DAV: 9 -0.903285922867E+02 0.92256E-01 -0.14531E-01 736 0.230E+00 0.626E-01
DAV: 10 -0.903105660274E+02 0.18026E-01 -0.45485E-02 720 0.110E+00 0.363E-01
DAV: 11 -0.903121183523E+02 -0.15523E-02 -0.15395E-02 712 0.624E-01 0.253E-01
DAV: 12 -0.903149608885E+02 -0.28425E-02 -0.34645E-03 685 0.481E-01 0.139E-01
DAV: 13 -0.903183220544E+02 -0.33612E-02 -0.27835E-03 631 0.359E-01 0.120E-01
DAV: 14 -0.903217457286E+02 -0.34237E-02 -0.16750E-03 687 0.289E-01 0.597E-02
DAV: 15 -0.903244992567E+02 -0.27535E-02 -0.79192E-04 648 0.142E-01 0.486E-02
DAV: 16 -0.903264519012E+02 -0.19526E-02 -0.45179E-04 720 0.158E-01 0.288E-02
DAV: 17 -0.903279349101E+02 -0.14830E-02 -0.33562E-04 652 0.906E-02 0.391E-02
DAV: 18 -0.903283191367E+02 -0.38423E-03 -0.66043E-05 760 0.673E-02 0.202E-02
DAV: 19 -0.903286473138E+02 -0.32818E-03 -0.20049E-04 649 0.838E-02 0.177E-02
DAV: 20 -0.903287646518E+02 -0.11734E-03 -0.19774E-05 536 0.359E-02 0.110E-02
DAV: 21 -0.903288243230E+02 -0.59671E-04 -0.22334E-05 527 0.249E-02 0.412E-03
DAV: 22 -0.903288642453E+02 -0.39922E-04 -0.66772E-06 442 0.123E-02 0.187E-03
DAV: 23 -0.903288728708E+02 -0.86255E-05 -0.19600E-06 504 0.643E-03
1 F= -.90328873E+02 E0= -.90336934E+02 d E =0.241827E-01