./iterations/neb0_image06_iter81_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 0.376351398561E+03 0.37635E+03 -0.14315E+04 632 0.799E+02
DAV: 2 0.371515561567E+01 -0.37264E+03 -0.36031E+03 877 0.195E+02
DAV: 3 -0.956853062876E+02 -0.99400E+02 -0.99087E+02 656 0.117E+02
DAV: 4 -0.100204593020E+03 -0.45193E+01 -0.45084E+01 704 0.289E+01
DAV: 5 -0.100296335415E+03 -0.91742E-01 -0.91709E-01 720 0.368E+00 0.227E+01
DAV: 6 -0.916230934141E+02 0.86732E+01 -0.30914E+01 685 0.307E+01 0.118E+01
DAV: 7 -0.907746265993E+02 0.84847E+00 -0.17077E+00 720 0.627E+00 0.482E+00
DAV: 8 -0.903892038717E+02 0.38542E+00 -0.52701E-01 712 0.401E+00 0.166E+00
DAV: 9 -0.902976884849E+02 0.91515E-01 -0.13208E-01 720 0.162E+00 0.426E-01
DAV: 10 -0.902879174826E+02 0.97710E-02 -0.39921E-02 728 0.102E+00 0.300E-01
DAV: 11 -0.902923734303E+02 -0.44559E-02 -0.12009E-02 610 0.695E-01 0.168E-01
DAV: 12 -0.902937781261E+02 -0.14047E-02 -0.26289E-03 664 0.305E-01 0.114E-01
DAV: 13 -0.902984488835E+02 -0.46708E-02 -0.31555E-03 640 0.340E-01 0.969E-02
DAV: 14 -0.903000877248E+02 -0.16388E-02 -0.50907E-04 720 0.158E-01 0.568E-02
DAV: 15 -0.903032864889E+02 -0.31988E-02 -0.10726E-03 650 0.197E-01 0.366E-02
DAV: 16 -0.903050206653E+02 -0.17342E-02 -0.19131E-04 744 0.901E-02 0.285E-02
DAV: 17 -0.903056012676E+02 -0.58060E-03 -0.11560E-04 704 0.666E-02 0.153E-02
DAV: 18 -0.903064368624E+02 -0.83559E-03 -0.14965E-04 652 0.720E-02 0.139E-02
DAV: 19 -0.903065191347E+02 -0.82272E-04 -0.11679E-05 512 0.281E-02 0.111E-02
DAV: 20 -0.903066175888E+02 -0.98454E-04 -0.45139E-05 615 0.425E-02 0.717E-03
DAV: 21 -0.903066539691E+02 -0.36380E-04 -0.55244E-06 496 0.189E-02 0.521E-03
DAV: 22 -0.903066877626E+02 -0.33794E-04 -0.47058E-06 406 0.991E-03 0.297E-03
DAV: 23 -0.903066993368E+02 -0.11574E-04 -0.32225E-06 458 0.102E-02 0.144E-03
DAV: 24 -0.903067017839E+02 -0.24471E-05 -0.12854E-06 476 0.569E-03
1 F= -.90306702E+02 E0= -.90315427E+02 d E =0.261757E-01