iterations/neb0_image08_iter233_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 0.374443767601E+03 0.37444E+03 -0.14286E+04 624 0.799E+02
DAV: 2 0.368270467104E+01 -0.37076E+03 -0.35830E+03 869 0.196E+02
DAV: 3 -0.966868243023E+02 -0.10037E+03 -0.10005E+03 664 0.117E+02
DAV: 4 -0.101278620276E+03 -0.45918E+01 -0.45798E+01 720 0.289E+01
DAV: 5 -0.101368578042E+03 -0.89958E-01 -0.89908E-01 736 0.365E+00 0.228E+01
DAV: 6 -0.926643945103E+02 0.87042E+01 -0.30903E+01 714 0.300E+01 0.119E+01
DAV: 7 -0.917891914047E+02 0.87520E+00 -0.17384E+00 720 0.614E+00 0.480E+00
DAV: 8 -0.914122590153E+02 0.37693E+00 -0.55274E-01 712 0.399E+00 0.160E+00
DAV: 9 -0.913331424097E+02 0.79117E-01 -0.12991E-01 728 0.153E+00 0.419E-01
DAV: 10 -0.913251975567E+02 0.79449E-02 -0.44535E-02 744 0.107E+00 0.301E-01
DAV: 11 -0.913300349072E+02 -0.48374E-02 -0.13196E-02 616 0.595E-01 0.144E-01
DAV: 12 -0.913330901103E+02 -0.30552E-02 -0.28547E-03 631 0.222E-01 0.114E-01
DAV: 13 -0.913369710321E+02 -0.38809E-02 -0.27848E-03 655 0.279E-01 0.601E-02
DAV: 14 -0.913400709921E+02 -0.31000E-02 -0.80881E-04 664 0.154E-01 0.236E-02
DAV: 15 -0.913415285336E+02 -0.14575E-02 -0.14603E-04 672 0.587E-02 0.146E-02
DAV: 16 -0.913426034062E+02 -0.10749E-02 -0.14443E-04 641 0.575E-02 0.117E-02
DAV: 17 -0.913427805493E+02 -0.17714E-03 -0.11443E-05 512 0.226E-02 0.926E-03
DAV: 18 -0.913429650512E+02 -0.18450E-03 -0.38888E-05 580 0.340E-02 0.544E-03
DAV: 19 -0.913430036637E+02 -0.38612E-04 -0.38154E-06 504 0.162E-02 0.311E-03
DAV: 20 -0.913430320406E+02 -0.28377E-04 -0.65515E-06 423 0.131E-02 0.228E-03
DAV: 21 -0.913430437867E+02 -0.11746E-04 -0.17929E-06 450 0.593E-03 0.158E-03
DAV: 22 -0.913430449153E+02 -0.11285E-05 -0.40998E-07 528 0.352E-03
1 F= -.91343045E+02 E0= -.91348256E+02 d E =0.156336E-01