iterations/neb0_image06_iter253_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 0.373554513419E+03 0.37355E+03 -0.14316E+04 632 0.799E+02
DAV: 2 0.499577153812E+01 -0.36856E+03 -0.35609E+03 855 0.194E+02
DAV: 3 -0.951324567724E+02 -0.10013E+03 -0.99742E+02 672 0.117E+02
DAV: 4 -0.998541564610E+02 -0.47217E+01 -0.47066E+01 736 0.285E+01
DAV: 5 -0.999521588750E+02 -0.98002E-01 -0.97957E-01 720 0.363E+00 0.224E+01
DAV: 6 -0.914220591448E+02 0.85301E+01 -0.30149E+01 685 0.303E+01 0.117E+01
DAV: 7 -0.906029336859E+02 0.81913E+00 -0.17291E+00 720 0.635E+00 0.480E+00
DAV: 8 -0.902294484639E+02 0.37349E+00 -0.55857E-01 704 0.416E+00 0.168E+00
DAV: 9 -0.901394121166E+02 0.90036E-01 -0.12875E-01 720 0.161E+00 0.432E-01
DAV: 10 -0.901296152252E+02 0.97969E-02 -0.33967E-02 728 0.910E-01 0.286E-01
DAV: 11 -0.901335719568E+02 -0.39567E-02 -0.10812E-02 605 0.578E-01 0.169E-01
DAV: 12 -0.901352310057E+02 -0.16590E-02 -0.36177E-03 648 0.364E-01 0.905E-02
DAV: 13 -0.901395417243E+02 -0.43107E-02 -0.24966E-03 625 0.252E-01 0.841E-02
DAV: 14 -0.901417686881E+02 -0.22270E-02 -0.58151E-04 864 0.179E-01 0.336E-02
DAV: 15 -0.901447633269E+02 -0.29946E-02 -0.54574E-04 627 0.118E-01 0.350E-02
DAV: 16 -0.901465036627E+02 -0.17403E-02 -0.23556E-04 818 0.991E-02 0.196E-02
DAV: 17 -0.901473240381E+02 -0.82038E-03 -0.15665E-04 661 0.600E-02 0.169E-02
DAV: 18 -0.901475655845E+02 -0.24155E-03 -0.27978E-05 565 0.332E-02 0.845E-03
DAV: 19 -0.901476982569E+02 -0.13267E-03 -0.35091E-05 570 0.314E-02 0.567E-03
DAV: 20 -0.901477353327E+02 -0.37076E-04 -0.41185E-06 480 0.154E-02 0.290E-03
DAV: 21 -0.901477518704E+02 -0.16538E-04 -0.35236E-06 410 0.897E-03 0.105E-03
DAV: 22 -0.901477593576E+02 -0.74872E-05 -0.11253E-06 469 0.408E-03
1 F= -.90147759E+02 E0= -.90152002E+02 d E =0.127272E-01