iterations/neb0_image09_iter17_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 0.372614030777E+03 0.37261E+03 -0.14270E+04 624 0.799E+02
DAV: 2 0.233852613617E+01 -0.37028E+03 -0.35778E+03 877 0.195E+02
DAV: 3 -0.965535243891E+02 -0.98892E+02 -0.98563E+02 664 0.116E+02
DAV: 4 -0.101059883096E+03 -0.45064E+01 -0.44959E+01 704 0.285E+01
DAV: 5 -0.101149890617E+03 -0.90008E-01 -0.89961E-01 736 0.363E+00 0.225E+01
DAV: 6 -0.925557166460E+02 0.85942E+01 -0.30869E+01 704 0.301E+01 0.118E+01
DAV: 7 -0.917082648648E+02 0.84745E+00 -0.16874E+00 720 0.617E+00 0.478E+00
DAV: 8 -0.913359795090E+02 0.37229E+00 -0.55147E-01 712 0.397E+00 0.164E+00
DAV: 9 -0.912528427382E+02 0.83137E-01 -0.12946E-01 712 0.155E+00 0.425E-01
DAV: 10 -0.912437400943E+02 0.91026E-02 -0.37817E-02 744 0.979E-01 0.285E-01
DAV: 11 -0.912482827801E+02 -0.45427E-02 -0.11189E-02 613 0.546E-01 0.150E-01
DAV: 12 -0.912509715914E+02 -0.26888E-02 -0.21881E-03 626 0.245E-01 0.893E-02
DAV: 13 -0.912549425806E+02 -0.39710E-02 -0.17324E-03 647 0.200E-01 0.535E-02
DAV: 14 -0.912577988331E+02 -0.28563E-02 -0.75554E-04 760 0.214E-01 0.409E-02
DAV: 15 -0.912596628286E+02 -0.18640E-02 -0.38136E-04 645 0.103E-01 0.337E-02
DAV: 16 -0.912605557137E+02 -0.89289E-03 -0.17933E-04 800 0.837E-02 0.186E-02
DAV: 17 -0.912615141381E+02 -0.95842E-03 -0.18996E-04 631 0.683E-02 0.177E-02
DAV: 18 -0.912617250596E+02 -0.21092E-03 -0.17395E-05 496 0.257E-02 0.125E-02
DAV: 19 -0.912619001364E+02 -0.17508E-03 -0.61735E-05 620 0.406E-02 0.643E-03
DAV: 20 -0.912619063995E+02 -0.62631E-05 -0.42546E-06 536 0.155E-02
1 F= -.91261906E+02 E0= -.91266721E+02 d E =0.144452E-01