iterations/neb0_image07_iter128_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 0.375425095546E+03 0.37543E+03 -0.14273E+04 624 0.799E+02
DAV: 2 0.331120479991E+01 -0.37211E+03 -0.35948E+03 877 0.195E+02
DAV: 3 -0.965717331505E+02 -0.99883E+02 -0.99563E+02 677 0.117E+02
DAV: 4 -0.100978492010E+03 -0.44068E+01 -0.43940E+01 720 0.278E+01
DAV: 5 -0.101065757959E+03 -0.87266E-01 -0.87234E-01 728 0.352E+00 0.226E+01
DAV: 6 -0.925034205002E+02 0.85623E+01 -0.30784E+01 704 0.302E+01 0.118E+01
DAV: 7 -0.916597326450E+02 0.84369E+00 -0.16499E+00 728 0.612E+00 0.480E+00
DAV: 8 -0.912823315128E+02 0.37740E+00 -0.55210E-01 712 0.401E+00 0.163E+00
DAV: 9 -0.911994389267E+02 0.82893E-01 -0.12955E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.911900179111E+02 0.94210E-02 -0.47026E-02 741 0.110E+00 0.307E-01
DAV: 11 -0.911951377653E+02 -0.51199E-02 -0.14241E-02 616 0.624E-01 0.160E-01
DAV: 12 -0.911977262604E+02 -0.25885E-02 -0.29274E-03 642 0.243E-01 0.137E-01
DAV: 13 -0.912016361883E+02 -0.39099E-02 -0.28600E-03 698 0.309E-01 0.562E-02
DAV: 14 -0.912040053532E+02 -0.23692E-02 -0.43349E-04 664 0.109E-01 0.459E-02
DAV: 15 -0.912066281217E+02 -0.26228E-02 -0.31158E-04 634 0.791E-02 0.301E-02
DAV: 16 -0.912074402030E+02 -0.81208E-03 -0.20663E-04 688 0.698E-02 0.183E-02
DAV: 17 -0.912080920595E+02 -0.65186E-03 -0.78089E-05 639 0.452E-02 0.107E-02
DAV: 18 -0.912082463894E+02 -0.15433E-03 -0.15830E-05 472 0.209E-02 0.617E-03
DAV: 19 -0.912082926972E+02 -0.46308E-04 -0.82495E-06 493 0.169E-02 0.303E-03
DAV: 20 -0.912083294621E+02 -0.36765E-04 -0.36080E-06 410 0.974E-03 0.229E-03
DAV: 21 -0.912083519027E+02 -0.22441E-04 -0.37820E-06 439 0.750E-03 0.193E-03
DAV: 22 -0.912083533907E+02 -0.14881E-05 -0.80965E-07 528 0.511E-03
1 F= -.91208353E+02 E0= -.91213402E+02 d E =0.151445E-01