iterations/neb0_image06_iter259_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 0.374254461292E+03 0.37425E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.521046306675E+01 -0.36904E+03 -0.35652E+03 858 0.194E+02
DAV: 3 -0.950829064430E+02 -0.10029E+03 -0.99911E+02 664 0.117E+02
DAV: 4 -0.999043371563E+02 -0.48214E+01 -0.48068E+01 736 0.290E+01
DAV: 5 -0.100005078499E+03 -0.10074E+00 -0.10069E+00 720 0.369E+00 0.225E+01
DAV: 6 -0.914330548764E+02 0.85720E+01 -0.30119E+01 696 0.304E+01 0.118E+01
DAV: 7 -0.906097444571E+02 0.82331E+00 -0.17632E+00 720 0.637E+00 0.481E+00
DAV: 8 -0.902352895678E+02 0.37445E+00 -0.54676E-01 712 0.413E+00 0.170E+00
DAV: 9 -0.901433854271E+02 0.91904E-01 -0.13178E-01 720 0.164E+00 0.433E-01
DAV: 10 -0.901335800011E+02 0.98054E-02 -0.33873E-02 768 0.915E-01 0.285E-01
DAV: 11 -0.901376674714E+02 -0.40875E-02 -0.11476E-02 605 0.595E-01 0.175E-01
DAV: 12 -0.901391443095E+02 -0.14768E-02 -0.37134E-03 656 0.382E-01 0.914E-02
DAV: 13 -0.901435874237E+02 -0.44431E-02 -0.29489E-03 614 0.285E-01 0.877E-02
DAV: 14 -0.901455759720E+02 -0.19885E-02 -0.53703E-04 896 0.186E-01 0.376E-02
DAV: 15 -0.901486891589E+02 -0.31132E-02 -0.68990E-04 619 0.138E-01 0.368E-02
DAV: 16 -0.901504391355E+02 -0.17500E-02 -0.20701E-04 802 0.952E-02 0.197E-02
DAV: 17 -0.901513803026E+02 -0.94117E-03 -0.21459E-04 677 0.718E-02 0.185E-02
DAV: 18 -0.901516534090E+02 -0.27311E-03 -0.30336E-05 533 0.382E-02 0.842E-03
DAV: 19 -0.901517511178E+02 -0.97709E-04 -0.38659E-05 658 0.336E-02 0.641E-03
DAV: 20 -0.901517947322E+02 -0.43614E-04 -0.65299E-06 453 0.212E-02 0.193E-03
DAV: 21 -0.901518097019E+02 -0.14970E-04 -0.29251E-06 477 0.852E-03 0.131E-03
DAV: 22 -0.901518184612E+02 -0.87592E-05 -0.13801E-06 404 0.597E-03
1 F= -.90151818E+02 E0= -.90156392E+02 d E =0.137217E-01