./iterations/neb0_image07_iter252_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 0.371853753974E+03 0.37185E+03 -0.14326E+04 632 0.799E+02
DAV: 2 0.384019452123E+01 -0.36801E+03 -0.35626E+03 866 0.194E+02
DAV: 3 -0.966669118550E+02 -0.10051E+03 -0.10018E+03 693 0.116E+02
DAV: 4 -0.101185954235E+03 -0.45190E+01 -0.45075E+01 696 0.280E+01
DAV: 5 -0.101274982240E+03 -0.89028E-01 -0.88977E-01 736 0.355E+00 0.227E+01
DAV: 6 -0.926139672236E+02 0.86610E+01 -0.30920E+01 709 0.300E+01 0.119E+01
DAV: 7 -0.917567595931E+02 0.85721E+00 -0.17167E+00 736 0.615E+00 0.480E+00
DAV: 8 -0.913816139704E+02 0.37515E+00 -0.53589E-01 728 0.394E+00 0.163E+00
DAV: 9 -0.912991141948E+02 0.82500E-01 -0.13065E-01 712 0.155E+00 0.421E-01
DAV: 10 -0.912900539170E+02 0.90603E-02 -0.43287E-02 757 0.106E+00 0.297E-01
DAV: 11 -0.912946412955E+02 -0.45874E-02 -0.13407E-02 608 0.599E-01 0.151E-01
DAV: 12 -0.912976176784E+02 -0.29764E-02 -0.28763E-03 623 0.266E-01 0.932E-02
DAV: 13 -0.913012166225E+02 -0.35989E-02 -0.14442E-03 639 0.184E-01 0.502E-02
DAV: 14 -0.913051327293E+02 -0.39161E-02 -0.12088E-03 711 0.250E-01 0.543E-02
DAV: 15 -0.913060550660E+02 -0.92234E-03 -0.38833E-04 704 0.122E-01 0.382E-02
DAV: 16 -0.913067945965E+02 -0.73953E-03 -0.19351E-04 712 0.829E-02 0.144E-02
DAV: 17 -0.913077807380E+02 -0.98614E-03 -0.15907E-04 722 0.669E-02 0.173E-02
DAV: 18 -0.913080300088E+02 -0.24927E-03 -0.29833E-05 624 0.381E-02 0.796E-03
DAV: 19 -0.913081423559E+02 -0.11235E-03 -0.28662E-05 576 0.271E-02 0.487E-03
DAV: 20 -0.913081793194E+02 -0.36964E-04 -0.27253E-06 496 0.118E-02 0.250E-03
DAV: 21 -0.913082028138E+02 -0.23494E-04 -0.33232E-06 432 0.909E-03 0.954E-04
DAV: 22 -0.913082132874E+02 -0.10474E-04 -0.11452E-06 453 0.439E-03 0.476E-04
DAV: 23 -0.913082147106E+02 -0.14232E-05 -0.25665E-07 504 0.185E-03
1 F= -.91308215E+02 E0= -.91312972E+02 d E =0.142731E-01