iterations/neb0_image07_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 0.363124791829E+03 0.36312E+03 -0.14203E+04 624 0.799E+02
DAV: 2 0.250056398324E+01 -0.36062E+03 -0.34855E+03 874 0.193E+02
DAV: 3 -0.945652467330E+02 -0.97066E+02 -0.96636E+02 688 0.114E+02
DAV: 4 -0.990156404642E+02 -0.44504E+01 -0.44330E+01 720 0.277E+01
DAV: 5 -0.991096485872E+02 -0.94008E-01 -0.93964E-01 744 0.355E+00 0.216E+01
DAV: 6 -0.906790195010E+02 0.84306E+01 -0.31444E+01 688 0.309E+01 0.113E+01
DAV: 7 -0.899275440017E+02 0.75148E+00 -0.16211E+00 701 0.684E+00 0.484E+00
DAV: 8 -0.895556304091E+02 0.37191E+00 -0.65100E-01 696 0.445E+00 0.170E+00
DAV: 9 -0.894682013923E+02 0.87429E-01 -0.14901E-01 725 0.189E+00 0.506E-01
DAV: 10 -0.894587727279E+02 0.94287E-02 -0.19406E-02 752 0.714E-01 0.289E-01
DAV: 11 -0.894596811285E+02 -0.90840E-03 -0.13827E-02 613 0.692E-01 0.173E-01
DAV: 12 -0.894617205733E+02 -0.20394E-02 -0.32185E-03 752 0.381E-01 0.106E-01
DAV: 13 -0.894660068949E+02 -0.42863E-02 -0.32249E-03 609 0.302E-01 0.103E-01
DAV: 14 -0.894691105239E+02 -0.31036E-02 -0.14130E-03 631 0.211E-01 0.516E-02
DAV: 15 -0.894719236590E+02 -0.28131E-02 -0.12376E-03 765 0.225E-01 0.557E-02
DAV: 16 -0.894731331136E+02 -0.12095E-02 -0.35479E-04 949 0.135E-01 0.336E-02
DAV: 17 -0.894737367871E+02 -0.60367E-03 -0.24695E-04 653 0.930E-02 0.193E-02
DAV: 18 -0.894743806235E+02 -0.64384E-03 -0.83800E-05 655 0.514E-02 0.136E-02
DAV: 19 -0.894747212289E+02 -0.34061E-03 -0.55243E-05 669 0.428E-02 0.777E-03
DAV: 20 -0.894748148482E+02 -0.93619E-04 -0.15872E-05 453 0.264E-02 0.397E-03
DAV: 21 -0.894748648078E+02 -0.49960E-04 -0.82707E-06 423 0.131E-02 0.319E-03
DAV: 22 -0.894748765172E+02 -0.11709E-04 -0.29951E-06 496 0.977E-03 0.173E-03
DAV: 23 -0.894748832526E+02 -0.67353E-05 -0.14574E-06 395 0.580E-03
1 F= -.89474883E+02 E0= -.89478792E+02 d E =0.117248E-01