iterations/neb0_image03_iter6_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.161849300894E+04 0.16185E+04 -0.42275E+04 306 0.697E+02
DAV: 2 0.297591970562E+03 -0.13209E+04 -0.12436E+04 420 0.168E+02
DAV: 3 -0.357377606086E+03 -0.65497E+03 -0.65137E+03 364 0.123E+02
DAV: 4 -0.433418386278E+03 -0.76041E+02 -0.75722E+02 316 0.521E+01
DAV: 5 -0.435156630659E+03 -0.17382E+01 -0.17360E+01 332 0.800E+00 0.427E+01
DAV: 6 -0.389093831758E+03 0.46063E+02 -0.15144E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385595301826E+03 0.34985E+01 -0.12313E+01 340 0.766E+00 0.104E+01
DAV: 8 -0.384147599239E+03 0.14477E+01 -0.23443E+00 332 0.380E+00 0.431E+00
DAV: 9 -0.383599353429E+03 0.54825E+00 -0.13069E+00 324 0.214E+00 0.108E+00
DAV: 10 -0.383538233240E+03 0.61120E-01 -0.11554E-01 332 0.920E-01 0.780E-01
DAV: 11 -0.383502345528E+03 0.35888E-01 -0.70629E-02 324 0.673E-01 0.523E-01
DAV: 12 -0.383487918728E+03 0.14427E-01 -0.56309E-02 364 0.558E-01 0.615E-01
DAV: 13 -0.383482863363E+03 0.50554E-02 -0.40269E-02 332 0.319E-01 0.334E-01
DAV: 14 -0.383482980380E+03 -0.11702E-03 -0.28581E-02 308 0.329E-01 0.509E-01
DAV: 15 -0.383484979073E+03 -0.19987E-02 -0.25687E-02 332 0.283E-01 0.436E-01
DAV: 16 -0.383486853197E+03 -0.18741E-02 -0.19861E-02 308 0.224E-01 0.148E-01
DAV: 17 -0.383495763133E+03 -0.89099E-02 -0.31925E-03 300 0.148E-01 0.144E-01
DAV: 18 -0.383507495883E+03 -0.11733E-01 -0.18054E-03 284 0.111E-01 0.108E-01
DAV: 19 -0.383518148959E+03 -0.10653E-01 -0.23093E-03 300 0.114E-01 0.699E-02
DAV: 20 -0.383524896373E+03 -0.67474E-02 -0.88923E-04 332 0.742E-02 0.618E-02
DAV: 21 -0.383527973131E+03 -0.30768E-02 -0.11460E-04 332 0.303E-02 0.382E-02
DAV: 22 -0.383532269921E+03 -0.42968E-02 -0.25720E-04 300 0.334E-02 0.157E-02
DAV: 23 -0.383535382242E+03 -0.31123E-02 -0.19585E-04 316 0.254E-02 0.251E-02
DAV: 24 -0.383536358383E+03 -0.97614E-03 -0.70094E-05 292 0.163E-02 0.629E-03
DAV: 25 -0.383537349841E+03 -0.99146E-03 -0.58236E-05 284 0.132E-02 0.850E-03
DAV: 26 -0.383537582881E+03 -0.23304E-03 -0.83180E-06 236 0.711E-03 0.384E-03
DAV: 27 -0.383537795645E+03 -0.21276E-03 -0.14247E-05 220 0.791E-03 0.418E-03
DAV: 28 -0.383537842228E+03 -0.46582E-04 -0.20517E-06 236 0.422E-03 0.185E-03
DAV: 29 -0.383537907949E+03 -0.65721E-04 -0.27542E-06 188 0.384E-03 0.141E-03
DAV: 30 -0.383537938133E+03 -0.30184E-04 -0.12272E-06 220 0.305E-03 0.144E-03
DAV: 31 -0.383537955942E+03 -0.17809E-04 -0.94311E-07 212 0.226E-03 0.172E-03
DAV: 32 -0.383537964307E+03 -0.83645E-05 -0.42254E-07 220 0.204E-03
1 F= -.38353796E+03 E0= -.38355091E+03 d E =0.388337E-01