iterations/neb0_image05_iter289_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 0.368469623671E+03 0.36847E+03 -0.14316E+04 624 0.799E+02
DAV: 2 0.476125816972E+01 -0.36371E+03 -0.35000E+03 840 0.196E+02
DAV: 3 -0.952365014563E+02 -0.99998E+02 -0.99650E+02 640 0.117E+02
DAV: 4 -0.100193334401E+03 -0.49568E+01 -0.49439E+01 704 0.304E+01
DAV: 5 -0.100293675425E+03 -0.10034E+00 -0.10029E+00 736 0.387E+00 0.223E+01
DAV: 6 -0.915925477294E+02 0.87011E+01 -0.31105E+01 688 0.302E+01 0.118E+01
DAV: 7 -0.907552797591E+02 0.83727E+00 -0.17851E+00 712 0.649E+00 0.485E+00
DAV: 8 -0.903683778669E+02 0.38690E+00 -0.53108E-01 720 0.435E+00 0.177E+00
DAV: 9 -0.902792497580E+02 0.89128E-01 -0.14008E-01 720 0.191E+00 0.525E-01
DAV: 10 -0.902686019026E+02 0.10648E-01 -0.25980E-02 744 0.881E-01 0.323E-01
DAV: 11 -0.902694975870E+02 -0.89568E-03 -0.12309E-02 688 0.599E-01 0.192E-01
DAV: 12 -0.902728638919E+02 -0.33663E-02 -0.47613E-03 688 0.407E-01 0.114E-01
DAV: 13 -0.902755793899E+02 -0.27155E-02 -0.10122E-03 642 0.178E-01 0.884E-02
DAV: 14 -0.902799876305E+02 -0.44082E-02 -0.21237E-03 654 0.257E-01 0.524E-02
DAV: 15 -0.902822553524E+02 -0.22677E-02 -0.34090E-04 704 0.118E-01 0.351E-02
DAV: 16 -0.902851058561E+02 -0.28505E-02 -0.10077E-03 647 0.183E-01 0.424E-02
DAV: 17 -0.902856330099E+02 -0.52715E-03 -0.14465E-04 792 0.876E-02 0.253E-02
DAV: 18 -0.902862113760E+02 -0.57837E-03 -0.18847E-04 649 0.778E-02 0.101E-02
DAV: 19 -0.902864643407E+02 -0.25296E-03 -0.52265E-05 688 0.384E-02 0.152E-02
DAV: 20 -0.902865516310E+02 -0.87290E-04 -0.72379E-06 485 0.184E-02 0.114E-02
DAV: 21 -0.902866086293E+02 -0.56998E-04 -0.52119E-05 622 0.444E-02 0.741E-03
DAV: 22 -0.902866170698E+02 -0.84405E-05 -0.52317E-06 496 0.176E-02
1 F= -.90286617E+02 E0= -.90294948E+02 d E =0.249942E-01