iterations/neb0_image06_iter55_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144118988141E+04 0.14412E+04 -0.44197E+04 330 0.697E+02
DAV: 2 0.235599723224E+03 -0.12056E+04 -0.11287E+04 408 0.163E+02
DAV: 3 -0.364903445393E+03 -0.60050E+03 -0.59699E+03 372 0.115E+02
DAV: 4 -0.430933393591E+03 -0.66030E+02 -0.65773E+02 309 0.472E+01
DAV: 5 -0.432372391662E+03 -0.14390E+01 -0.14361E+01 336 0.730E+00 0.425E+01
DAV: 6 -0.386986319664E+03 0.45386E+02 -0.14914E+02 309 0.286E+01 0.207E+01
DAV: 7 -0.383641372803E+03 0.33449E+01 -0.12771E+01 336 0.779E+00 0.104E+01
DAV: 8 -0.382198961660E+03 0.14424E+01 -0.27586E+00 327 0.394E+00 0.435E+00
DAV: 9 -0.381647953163E+03 0.55101E+00 -0.10875E+00 327 0.232E+00 0.139E+00
DAV: 10 -0.381578105171E+03 0.69848E-01 -0.43688E-01 336 0.127E+00 0.114E+00
DAV: 11 -0.381548423385E+03 0.29682E-01 -0.21543E-01 354 0.699E-01 0.788E-01
DAV: 12 -0.381536087571E+03 0.12336E-01 -0.69542E-02 345 0.500E-01 0.788E-01
DAV: 13 -0.381517665082E+03 0.18422E-01 -0.18894E-02 372 0.443E-01 0.623E-01
DAV: 14 -0.381505213961E+03 0.12451E-01 -0.50321E-02 363 0.489E-01 0.470E-01
DAV: 15 -0.381504436875E+03 0.77709E-03 -0.14379E-02 318 0.389E-01 0.539E-01
DAV: 16 -0.381504159716E+03 0.27716E-03 -0.79152E-03 354 0.262E-01 0.231E-01
DAV: 17 -0.381509999556E+03 -0.58398E-02 -0.39100E-03 291 0.160E-01 0.146E-01
DAV: 18 -0.381520891378E+03 -0.10892E-01 -0.36928E-03 336 0.173E-01 0.141E-01
DAV: 19 -0.381530416814E+03 -0.95254E-02 -0.20788E-03 309 0.156E-01 0.108E-01
DAV: 20 -0.381536074835E+03 -0.56580E-02 -0.14386E-03 318 0.107E-01 0.101E-01
DAV: 21 -0.381541659911E+03 -0.55851E-02 -0.30181E-04 309 0.466E-02 0.703E-02
DAV: 22 -0.381547232471E+03 -0.55726E-02 -0.33144E-04 309 0.379E-02 0.491E-02
DAV: 23 -0.381549797547E+03 -0.25651E-02 -0.13911E-04 354 0.285E-02 0.174E-02
DAV: 24 -0.381552668398E+03 -0.28709E-02 -0.14457E-04 300 0.246E-02 0.172E-02
DAV: 25 -0.381553670667E+03 -0.10023E-02 -0.44032E-05 300 0.143E-02 0.238E-02
DAV: 26 -0.381554498166E+03 -0.82750E-03 -0.36889E-05 300 0.135E-02 0.742E-03
DAV: 27 -0.381554814530E+03 -0.31636E-03 -0.10975E-05 228 0.750E-03 0.662E-03
DAV: 28 -0.381554879264E+03 -0.64734E-04 -0.27260E-06 237 0.397E-03 0.445E-03
DAV: 29 -0.381555038135E+03 -0.15887E-03 -0.66747E-06 201 0.582E-03 0.396E-03
DAV: 30 -0.381555098920E+03 -0.60786E-04 -0.28121E-06 219 0.357E-03 0.321E-03
DAV: 31 -0.381555118209E+03 -0.19289E-04 -0.83619E-07 228 0.238E-03 0.183E-03
DAV: 32 -0.381555158679E+03 -0.40470E-04 -0.17423E-06 201 0.295E-03 0.125E-03
DAV: 33 -0.381555161344E+03 -0.26644E-05 -0.44422E-07 228 0.152E-03
1 F= -.38155516E+03 E0= -.38157251E+03 d E =0.520410E-01