Optics run

Total energy, geometry optimization, DFT+U, spin....

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hameed1987
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Joined: Sat Jun 22, 2019 12:45 pm
Location: The UK

Optics run

Post by hameed1987 » Thu Sep 17, 2020 5:40 pm

Sirs

In the second run of optic I have this error. The first Run completes, then I copy the input variables of toptic_2.in into the toptc_1, but it gives below error

--- !ERROR
src_file: m_optic_tools.F90
src_line: 977
mpi_rank: 0
message: |
Aborting now

Please help me if any one of you have an idea to solve it

WR
Hameed
Dear All,


WR
Hameed

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