./iterations/neb0_image01_iter161_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 0.366042980774E+03 0.36604E+03 -0.14301E+04 624 0.799E+02
DAV: 2 0.320773754243E+01 -0.36284E+03 -0.34994E+03 839 0.196E+02
DAV: 3 -0.956079918762E+02 -0.98816E+02 -0.98469E+02 666 0.116E+02
DAV: 4 -0.100236740601E+03 -0.46287E+01 -0.46174E+01 696 0.287E+01
DAV: 5 -0.100329419201E+03 -0.92679E-01 -0.92630E-01 728 0.362E+00 0.223E+01
DAV: 6 -0.916870705801E+02 0.86423E+01 -0.30960E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908776842096E+02 0.80939E+00 -0.18300E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905022940030E+02 0.37539E+00 -0.55345E-01 704 0.429E+00 0.166E+00
DAV: 9 -0.904210954317E+02 0.81199E-01 -0.12819E-01 720 0.172E+00 0.425E-01
DAV: 10 -0.904166581648E+02 0.44373E-02 -0.47583E-02 712 0.124E+00 0.329E-01
DAV: 11 -0.904210309426E+02 -0.43728E-02 -0.93420E-03 608 0.679E-01 0.115E-01
DAV: 12 -0.904239099309E+02 -0.28790E-02 -0.59830E-03 624 0.397E-01 0.128E-01
DAV: 13 -0.904266285867E+02 -0.27187E-02 -0.14662E-03 850 0.293E-01 0.809E-02
DAV: 14 -0.904300721048E+02 -0.34435E-02 -0.17877E-03 631 0.222E-01 0.780E-02
DAV: 15 -0.904314264129E+02 -0.13543E-02 -0.30800E-04 824 0.137E-01 0.499E-02
DAV: 16 -0.904328077993E+02 -0.13814E-02 -0.92098E-04 669 0.190E-01 0.373E-02
DAV: 17 -0.904335679150E+02 -0.76012E-03 -0.16137E-04 725 0.867E-02 0.312E-02
DAV: 18 -0.904337097961E+02 -0.14188E-03 -0.27437E-05 600 0.292E-02 0.243E-02
DAV: 19 -0.904340541745E+02 -0.34438E-03 -0.90237E-05 635 0.549E-02 0.121E-02
DAV: 20 -0.904341217168E+02 -0.67542E-04 -0.21186E-05 552 0.314E-02 0.613E-03
DAV: 21 -0.904341579104E+02 -0.36194E-04 -0.11462E-05 445 0.204E-02 0.603E-03
DAV: 22 -0.904341998171E+02 -0.41907E-04 -0.62067E-06 428 0.126E-02 0.418E-03
DAV: 23 -0.904342129775E+02 -0.13160E-04 -0.41127E-06 472 0.122E-02 0.264E-03
DAV: 24 -0.904342145613E+02 -0.15839E-05 -0.14279E-06 528 0.679E-03
1 F= -.90434215E+02 E0= -.90441324E+02 d E =0.213294E-01