iterations/neb0_image09_iter286_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 0.374292387544E+03 0.37429E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.334806673532E+01 -0.37094E+03 -0.35830E+03 866 0.196E+02
DAV: 3 -0.967682150078E+02 -0.10012E+03 -0.99793E+02 664 0.117E+02
DAV: 4 -0.101301193508E+03 -0.45330E+01 -0.45222E+01 712 0.287E+01
DAV: 5 -0.101390318637E+03 -0.89125E-01 -0.89085E-01 728 0.365E+00 0.228E+01
DAV: 6 -0.926879336050E+02 0.87024E+01 -0.30995E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918121996119E+02 0.87573E+00 -0.17226E+00 720 0.614E+00 0.480E+00
DAV: 8 -0.914355812642E+02 0.37662E+00 -0.54517E-01 704 0.397E+00 0.162E+00
DAV: 9 -0.913549201314E+02 0.80661E-01 -0.13121E-01 720 0.154E+00 0.422E-01
DAV: 10 -0.913467473806E+02 0.81728E-02 -0.45688E-02 752 0.109E+00 0.306E-01
DAV: 11 -0.913514339076E+02 -0.46865E-02 -0.13753E-02 608 0.610E-01 0.145E-01
DAV: 12 -0.913543943303E+02 -0.29604E-02 -0.28767E-03 626 0.227E-01 0.115E-01
DAV: 13 -0.913581893390E+02 -0.37950E-02 -0.24598E-03 701 0.262E-01 0.506E-02
DAV: 14 -0.913615189618E+02 -0.33296E-02 -0.61004E-04 664 0.129E-01 0.251E-02
DAV: 15 -0.913629877957E+02 -0.14688E-02 -0.12906E-04 688 0.590E-02 0.206E-02
DAV: 16 -0.913641278133E+02 -0.11400E-02 -0.20011E-04 645 0.654E-02 0.153E-02
DAV: 17 -0.913642677783E+02 -0.13996E-03 -0.14257E-05 496 0.323E-02 0.111E-02
DAV: 18 -0.913645317440E+02 -0.26397E-03 -0.80521E-05 609 0.456E-02 0.117E-02
DAV: 19 -0.913645488504E+02 -0.17106E-04 -0.89640E-06 520 0.274E-02 0.533E-03
DAV: 20 -0.913645754031E+02 -0.26553E-04 -0.14162E-05 415 0.214E-02 0.257E-03
DAV: 21 -0.913645977826E+02 -0.22380E-04 -0.49742E-06 440 0.105E-02 0.403E-03
DAV: 22 -0.913646007430E+02 -0.29604E-05 -0.69620E-07 501 0.761E-03
1 F= -.91364601E+02 E0= -.91369353E+02 d E =0.142578E-01