![]() | Name | Last modified | Size | Description |
---|---|---|---|---|
![]() | Parent Directory | - | ||
![]() | GEO_OPT_RUNNING | 2017-01-10 16:16 | 1.2K | |
![]() | basis | 2017-01-10 16:16 | 2.6K | |
![]() | control | 2017-01-10 16:21 | 2.0K | |
![]() | coord | 2017-01-10 16:16 | 2.9K | |
![]() | ddens | 2017-01-10 16:16 | 0 | |
![]() | dens | 2017-01-10 16:15 | 7.4M | |
![]() | energy | 2017-01-10 16:16 | 11K | |
![]() | errvec | 2017-01-10 16:16 | 0 | |
![]() | fock | 2017-01-10 16:16 | 8.9M | |
![]() | fort.16 | 2017-01-10 16:16 | 1.7K | |
![]() | gradient | 2017-01-10 16:15 | 1.0M | |
![]() | hessapprox | 2017-01-10 16:16 | 166K | |
![]() | job.172 | 2017-01-10 16:16 | 52K | |
![]() | job.last | 2017-01-10 16:16 | 56K | |
![]() | job.start | 2017-01-10 16:16 | 772 | |
![]() | jobex.out | 2017-01-10 16:15 | 3.8K | |
![]() | molden.input | 2017-01-10 16:21 | 496K | |
![]() | mos | 2017-01-10 16:16 | 7.5M | |
![]() | nextstep | 2017-01-10 16:16 | 5 | |
![]() | not.converged | 2017-01-10 16:15 | 325 | |
![]() | oldfock | 2017-01-10 16:16 | 0 | |
![]() | optinfo | 2017-01-10 16:16 | 10K | |
![]() | statistics | 2017-01-10 16:16 | 5.3K | |