./iterations/neb0_image01_iter159_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 0.366119811499E+03 0.36612E+03 -0.14302E+04 624 0.799E+02
DAV: 2 0.322972726908E+01 -0.36289E+03 -0.35002E+03 839 0.196E+02
DAV: 3 -0.955655582680E+02 -0.98795E+02 -0.98447E+02 658 0.116E+02
DAV: 4 -0.100241033400E+03 -0.46755E+01 -0.46642E+01 696 0.291E+01
DAV: 5 -0.100334261511E+03 -0.93228E-01 -0.93180E-01 728 0.368E+00 0.223E+01
DAV: 6 -0.916905129807E+02 0.86437E+01 -0.30973E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908793673055E+02 0.81115E+00 -0.18262E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.905031795815E+02 0.37619E+00 -0.55536E-01 704 0.429E+00 0.166E+00
DAV: 9 -0.904217198015E+02 0.81460E-01 -0.13150E-01 720 0.167E+00 0.423E-01
DAV: 10 -0.904171842751E+02 0.45355E-02 -0.47690E-02 712 0.125E+00 0.324E-01
DAV: 11 -0.904213262289E+02 -0.41420E-02 -0.83447E-03 608 0.595E-01 0.118E-01
DAV: 12 -0.904245728298E+02 -0.32466E-02 -0.62818E-03 629 0.430E-01 0.130E-01
DAV: 13 -0.904270636150E+02 -0.24908E-02 -0.15283E-03 853 0.301E-01 0.773E-02
DAV: 14 -0.904302819829E+02 -0.32184E-02 -0.15956E-03 639 0.207E-01 0.727E-02
DAV: 15 -0.904317901763E+02 -0.15082E-02 -0.28777E-04 728 0.117E-01 0.560E-02
DAV: 16 -0.904331370188E+02 -0.13468E-02 -0.11267E-03 661 0.206E-01 0.393E-02
DAV: 17 -0.904339833864E+02 -0.84637E-03 -0.14748E-04 658 0.824E-02 0.337E-02
DAV: 18 -0.904342954013E+02 -0.31201E-03 -0.65556E-05 680 0.398E-02 0.214E-02
DAV: 19 -0.904345169274E+02 -0.22153E-03 -0.11806E-04 633 0.628E-02 0.976E-03
DAV: 20 -0.904345420980E+02 -0.25171E-04 -0.13268E-05 536 0.235E-02 0.949E-03
DAV: 21 -0.904345804864E+02 -0.38388E-04 -0.89196E-06 407 0.176E-02 0.754E-03
DAV: 22 -0.904345973653E+02 -0.16879E-04 -0.38754E-06 480 0.157E-02 0.453E-03
DAV: 23 -0.904346029037E+02 -0.55383E-05 -0.94836E-06 464 0.175E-02
1 F= -.90434603E+02 E0= -.90440494E+02 d E =0.176728E-01