iterations/neb0_image08_iter231_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 0.373761661924E+03 0.37376E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.273536763488E+01 -0.37103E+03 -0.35934E+03 877 0.196E+02
DAV: 3 -0.966498698246E+02 -0.99385E+02 -0.99080E+02 656 0.116E+02
DAV: 4 -0.101228898116E+03 -0.45790E+01 -0.45672E+01 720 0.290E+01
DAV: 5 -0.101319443589E+03 -0.90545E-01 -0.90496E-01 728 0.367E+00 0.227E+01
DAV: 6 -0.926481342848E+02 0.86713E+01 -0.30956E+01 717 0.299E+01 0.119E+01
DAV: 7 -0.917876988454E+02 0.86044E+00 -0.17242E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914132948081E+02 0.37440E+00 -0.54769E-01 712 0.396E+00 0.161E+00
DAV: 9 -0.913338488539E+02 0.79446E-01 -0.12931E-01 728 0.153E+00 0.418E-01
DAV: 10 -0.913260073777E+02 0.78415E-02 -0.43767E-02 736 0.106E+00 0.298E-01
DAV: 11 -0.913308775548E+02 -0.48702E-02 -0.12764E-02 608 0.584E-01 0.143E-01
DAV: 12 -0.913339267609E+02 -0.30492E-02 -0.27332E-03 634 0.223E-01 0.114E-01
DAV: 13 -0.913376508486E+02 -0.37241E-02 -0.25060E-03 639 0.264E-01 0.537E-02
DAV: 14 -0.913406970106E+02 -0.30462E-02 -0.70711E-04 661 0.152E-01 0.240E-02
DAV: 15 -0.913420906339E+02 -0.13936E-02 -0.13833E-04 664 0.611E-02 0.189E-02
DAV: 16 -0.913431838882E+02 -0.10933E-02 -0.15993E-04 644 0.711E-02 0.118E-02
DAV: 17 -0.913435190970E+02 -0.33521E-03 -0.26881E-05 568 0.314E-02 0.114E-02
DAV: 18 -0.913437167550E+02 -0.19766E-03 -0.37916E-05 629 0.341E-02 0.573E-03
DAV: 19 -0.913437855992E+02 -0.68844E-04 -0.69029E-06 472 0.167E-02 0.226E-03
DAV: 20 -0.913438129058E+02 -0.27307E-04 -0.47365E-06 442 0.917E-03 0.188E-03
DAV: 21 -0.913438221719E+02 -0.92661E-05 -0.12197E-06 448 0.408E-03
1 F= -.91343822E+02 E0= -.91348826E+02 d E =0.150126E-01