iterations/neb0_image01_iter157_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 0.366141719346E+03 0.36614E+03 -0.14302E+04 624 0.799E+02
DAV: 2 0.323792056068E+01 -0.36290E+03 -0.35005E+03 839 0.196E+02
DAV: 3 -0.955649521524E+02 -0.98803E+02 -0.98454E+02 658 0.116E+02
DAV: 4 -0.100240864484E+03 -0.46759E+01 -0.46645E+01 704 0.291E+01
DAV: 5 -0.100333842834E+03 -0.92978E-01 -0.92932E-01 728 0.367E+00 0.223E+01
DAV: 6 -0.916907167670E+02 0.86431E+01 -0.30983E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908786232793E+02 0.81209E+00 -0.18261E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.905020019104E+02 0.37662E+00 -0.55630E-01 704 0.429E+00 0.166E+00
DAV: 9 -0.904203240776E+02 0.81678E-01 -0.13278E-01 720 0.167E+00 0.423E-01
DAV: 10 -0.904156876417E+02 0.46364E-02 -0.47243E-02 712 0.125E+00 0.322E-01
DAV: 11 -0.904196882416E+02 -0.40006E-02 -0.77607E-03 616 0.559E-01 0.123E-01
DAV: 12 -0.904230801387E+02 -0.33919E-02 -0.65511E-03 618 0.454E-01 0.131E-01
DAV: 13 -0.904255048874E+02 -0.24247E-02 -0.15760E-03 864 0.304E-01 0.756E-02
DAV: 14 -0.904286524755E+02 -0.31476E-02 -0.14952E-03 639 0.196E-01 0.680E-02
DAV: 15 -0.904302758876E+02 -0.16234E-02 -0.30813E-04 688 0.114E-01 0.542E-02
DAV: 16 -0.904316397544E+02 -0.13639E-02 -0.10580E-03 661 0.199E-01 0.381E-02
DAV: 17 -0.904324803486E+02 -0.84059E-03 -0.14199E-04 661 0.803E-02 0.329E-02
DAV: 18 -0.904328000495E+02 -0.31970E-03 -0.79885E-05 669 0.446E-02 0.185E-02
DAV: 19 -0.904329867505E+02 -0.18670E-03 -0.94435E-05 639 0.542E-02 0.918E-03
DAV: 20 -0.904330156538E+02 -0.28903E-04 -0.88763E-06 512 0.200E-02 0.951E-03
DAV: 21 -0.904330538819E+02 -0.38228E-04 -0.72965E-06 404 0.149E-02 0.705E-03
DAV: 22 -0.904330660363E+02 -0.12154E-04 -0.48065E-06 480 0.173E-02 0.298E-03
DAV: 23 -0.904330692054E+02 -0.31691E-05 -0.64294E-06 496 0.144E-02
1 F= -.90433069E+02 E0= -.90438419E+02 d E =0.160491E-01