iterations/neb0_image06_iter12_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 0.162158399029E+04 0.16216E+04 -0.42288E+04 306 0.697E+02
DAV: 2 0.301569109810E+03 -0.13200E+04 -0.12414E+04 420 0.168E+02
DAV: 3 -0.357966930929E+03 -0.65954E+03 -0.65511E+03 364 0.123E+02
DAV: 4 -0.433327559519E+03 -0.75361E+02 -0.75086E+02 308 0.529E+01
DAV: 5 -0.435018134704E+03 -0.16906E+01 -0.16881E+01 348 0.811E+00 0.427E+01
DAV: 6 -0.388923826969E+03 0.46094E+02 -0.15069E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385429684153E+03 0.34941E+01 -0.12734E+01 340 0.773E+00 0.104E+01
DAV: 8 -0.384000640980E+03 0.14290E+01 -0.26989E+00 332 0.393E+00 0.429E+00
DAV: 9 -0.383435826802E+03 0.56481E+00 -0.60875E-01 332 0.194E+00 0.103E+00
DAV: 10 -0.383379425937E+03 0.56401E-01 -0.28217E-01 332 0.111E+00 0.106E+00
DAV: 11 -0.383364394059E+03 0.15032E-01 -0.19241E-01 316 0.528E-01 0.709E-01
DAV: 12 -0.383349708807E+03 0.14685E-01 -0.19754E-02 308 0.337E-01 0.483E-01
DAV: 13 -0.383336647716E+03 0.13061E-01 -0.10226E-01 308 0.509E-01 0.604E-01
DAV: 14 -0.383332160296E+03 0.44874E-02 -0.40455E-02 324 0.265E-01 0.309E-01
DAV: 15 -0.383335552505E+03 -0.33922E-02 -0.65808E-03 300 0.240E-01 0.208E-01
DAV: 16 -0.383344248192E+03 -0.86957E-02 -0.40957E-03 324 0.184E-01 0.127E-01
DAV: 17 -0.383358722910E+03 -0.14475E-01 -0.41924E-03 276 0.180E-01 0.116E-01
DAV: 18 -0.383367905338E+03 -0.91824E-02 -0.24951E-03 316 0.135E-01 0.729E-02
DAV: 19 -0.383373996926E+03 -0.60916E-02 -0.51602E-04 340 0.614E-02 0.614E-02
DAV: 20 -0.383379463650E+03 -0.54667E-02 -0.30234E-04 292 0.376E-02 0.339E-02
DAV: 21 -0.383384658477E+03 -0.51948E-02 -0.27708E-04 308 0.322E-02 0.226E-02
DAV: 22 -0.383387961544E+03 -0.33031E-02 -0.17588E-04 308 0.301E-02 0.157E-02
DAV: 23 -0.383389646715E+03 -0.16852E-02 -0.85611E-05 308 0.204E-02 0.135E-02
DAV: 24 -0.383390651603E+03 -0.10049E-02 -0.48016E-05 276 0.158E-02 0.634E-03
DAV: 25 -0.383391118942E+03 -0.46734E-03 -0.17602E-05 236 0.104E-02 0.506E-03
DAV: 26 -0.383391420725E+03 -0.30178E-03 -0.18037E-05 260 0.110E-02 0.505E-03
DAV: 27 -0.383391544784E+03 -0.12406E-03 -0.73147E-06 228 0.862E-03 0.311E-03
DAV: 28 -0.383391613660E+03 -0.68876E-04 -0.75254E-06 220 0.905E-03 0.233E-03
DAV: 29 -0.383391639239E+03 -0.25579E-04 -0.65290E-06 220 0.847E-03 0.212E-03
DAV: 30 -0.383391647022E+03 -0.77834E-05 -0.37883E-06 228 0.547E-03
1 F= -.38339165E+03 E0= -.38340536E+03 d E =0.411393E-01