iterations/neb0_image09_iter210_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 0.373845543225E+03 0.37385E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.325220879936E+01 -0.37059E+03 -0.35798E+03 869 0.196E+02
DAV: 3 -0.967100974460E+02 -0.99962E+02 -0.99632E+02 661 0.117E+02
DAV: 4 -0.101244759086E+03 -0.45347E+01 -0.45240E+01 720 0.287E+01
DAV: 5 -0.101333848302E+03 -0.89089E-01 -0.89048E-01 720 0.365E+00 0.227E+01
DAV: 6 -0.926726102547E+02 0.86612E+01 -0.30999E+01 725 0.300E+01 0.119E+01
DAV: 7 -0.918094137201E+02 0.86320E+00 -0.17175E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914344837616E+02 0.37493E+00 -0.54350E-01 712 0.395E+00 0.162E+00
DAV: 9 -0.913534966406E+02 0.80987E-01 -0.13132E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913453268938E+02 0.81697E-02 -0.43896E-02 768 0.109E+00 0.299E-01
DAV: 11 -0.913496650648E+02 -0.43382E-02 -0.11662E-02 608 0.562E-01 0.131E-01
DAV: 12 -0.913529227461E+02 -0.32577E-02 -0.28554E-03 623 0.245E-01 0.108E-01
DAV: 13 -0.913563610014E+02 -0.34383E-02 -0.11934E-03 679 0.190E-01 0.433E-02
DAV: 14 -0.913595816698E+02 -0.32207E-02 -0.70389E-04 664 0.144E-01 0.377E-02
DAV: 15 -0.913609266344E+02 -0.13450E-02 -0.14228E-04 736 0.825E-02 0.331E-02
DAV: 16 -0.913624022893E+02 -0.14757E-02 -0.32603E-04 656 0.874E-02 0.170E-02
DAV: 17 -0.913628361369E+02 -0.43385E-03 -0.69784E-05 712 0.567E-02 0.122E-02
DAV: 18 -0.913630736875E+02 -0.23755E-03 -0.37916E-05 573 0.265E-02 0.886E-03
DAV: 19 -0.913631228581E+02 -0.49171E-04 -0.76219E-06 496 0.154E-02 0.415E-03
DAV: 20 -0.913631535483E+02 -0.30690E-04 -0.70802E-06 426 0.168E-02 0.173E-03
DAV: 21 -0.913631667399E+02 -0.13192E-04 -0.23500E-06 456 0.730E-03 0.236E-03
DAV: 22 -0.913631707535E+02 -0.40137E-05 -0.52992E-07 480 0.448E-03
1 F= -.91363171E+02 E0= -.91367948E+02 d E =0.143322E-01