./iterations/neb0_image02_iter37_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 0.368600650998E+03 0.36860E+03 -0.14301E+04 624 0.799E+02
DAV: 2 0.434772481299E+01 -0.36425E+03 -0.34954E+03 842 0.195E+02
DAV: 3 -0.954122862304E+02 -0.99760E+02 -0.99420E+02 656 0.116E+02
DAV: 4 -0.100165279080E+03 -0.47530E+01 -0.47414E+01 720 0.294E+01
DAV: 5 -0.100257170731E+03 -0.91892E-01 -0.91853E-01 736 0.369E+00 0.223E+01
DAV: 6 -0.915974076562E+02 0.86598E+01 -0.30820E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.907648614630E+02 0.83255E+00 -0.18455E+00 712 0.635E+00 0.483E+00
DAV: 8 -0.903763997843E+02 0.38846E+00 -0.55716E-01 688 0.426E+00 0.170E+00
DAV: 9 -0.902836431983E+02 0.92757E-01 -0.14187E-01 696 0.167E+00 0.433E-01
DAV: 10 -0.902768341396E+02 0.68091E-02 -0.44217E-02 717 0.123E+00 0.313E-01
DAV: 11 -0.902807218586E+02 -0.38877E-02 -0.69409E-03 613 0.476E-01 0.140E-01
DAV: 12 -0.902840147068E+02 -0.32928E-02 -0.60234E-03 613 0.426E-01 0.123E-01
DAV: 13 -0.902868828790E+02 -0.28682E-02 -0.11777E-03 957 0.293E-01 0.734E-02
DAV: 14 -0.902900457266E+02 -0.31628E-02 -0.12047E-03 637 0.166E-01 0.503E-02
DAV: 15 -0.902924084251E+02 -0.23627E-02 -0.32200E-04 696 0.103E-01 0.342E-02
DAV: 16 -0.902939024282E+02 -0.14940E-02 -0.44355E-04 650 0.114E-01 0.286E-02
DAV: 17 -0.902947298767E+02 -0.82745E-03 -0.15891E-04 850 0.894E-02 0.143E-02
DAV: 18 -0.902948447110E+02 -0.11483E-03 -0.32535E-05 656 0.319E-02 0.864E-03
DAV: 19 -0.902950710586E+02 -0.22635E-03 -0.33243E-05 569 0.254E-02 0.388E-03
DAV: 20 -0.902951029949E+02 -0.31936E-04 -0.17460E-06 488 0.896E-03 0.287E-03
DAV: 21 -0.902951684330E+02 -0.65438E-04 -0.12629E-05 427 0.200E-02 0.312E-03
DAV: 22 -0.902951739031E+02 -0.54701E-05 -0.19434E-06 501 0.827E-03
1 F= -.90295174E+02 E0= -.90300456E+02 d E =0.158452E-01