iterations/neb0_image08_iter112_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 0.376119995742E+03 0.37612E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.347896429153E+01 -0.37264E+03 -0.35964E+03 869 0.196E+02
DAV: 3 -0.967910436670E+02 -0.10027E+03 -0.99931E+02 680 0.117E+02
DAV: 4 -0.101198677012E+03 -0.44076E+01 -0.43974E+01 696 0.279E+01
DAV: 5 -0.101285641690E+03 -0.86965E-01 -0.86929E-01 736 0.352E+00 0.228E+01
DAV: 6 -0.926208181285E+02 0.86648E+01 -0.30801E+01 714 0.302E+01 0.119E+01
DAV: 7 -0.917462357613E+02 0.87458E+00 -0.17161E+00 720 0.616E+00 0.481E+00
DAV: 8 -0.913672005002E+02 0.37904E+00 -0.55223E-01 704 0.401E+00 0.163E+00
DAV: 9 -0.912842599553E+02 0.82941E-01 -0.13171E-01 712 0.156E+00 0.425E-01
DAV: 10 -0.912753125509E+02 0.89474E-02 -0.47323E-02 752 0.114E+00 0.308E-01
DAV: 11 -0.912799403016E+02 -0.46278E-02 -0.14038E-02 624 0.618E-01 0.152E-01
DAV: 12 -0.912827969517E+02 -0.28567E-02 -0.30240E-03 606 0.248E-01 0.121E-01
DAV: 13 -0.912864941155E+02 -0.36972E-02 -0.16884E-03 722 0.228E-01 0.454E-02
DAV: 14 -0.912897512276E+02 -0.32571E-02 -0.58948E-04 656 0.134E-01 0.364E-02
DAV: 15 -0.912914468765E+02 -0.16956E-02 -0.18421E-04 656 0.798E-02 0.400E-02
DAV: 16 -0.912927165148E+02 -0.12696E-02 -0.38231E-04 658 0.996E-02 0.200E-02
DAV: 17 -0.912930312242E+02 -0.31471E-03 -0.59765E-05 680 0.562E-02 0.138E-02
DAV: 18 -0.912933011817E+02 -0.26996E-03 -0.49463E-05 623 0.323E-02 0.129E-02
DAV: 19 -0.912933786460E+02 -0.77464E-04 -0.95763E-06 480 0.193E-02 0.602E-03
DAV: 20 -0.912934127202E+02 -0.34074E-04 -0.14059E-05 440 0.237E-02 0.280E-03
DAV: 21 -0.912934325615E+02 -0.19841E-04 -0.35506E-06 442 0.938E-03 0.319E-03
DAV: 22 -0.912934384781E+02 -0.59166E-05 -0.86081E-07 456 0.540E-03
1 F= -.91293438E+02 E0= -.91298472E+02 d E =0.150997E-01