uspex+cp2k: warning: file 'lattice.stress_tensor' not found.
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罗东宝
Jul 6, 2025, 1:33:45 AMJul 6
to USPEX
I am attempting to explore 3D solid materials using USPEX coupled with CP2K. During execution, the following warning persists:
The structure after relaxation cannot satisfy distance constraint, please see the Warning ...
Warning: File 'lattice.stress_tensor' not found.
> In DeleteFiles (line 3)
In Clean_AbinitCode (line 44)
In Reading (line 225)
In ReadJobs (line 27)
In LocalRelaxation (line 52)
In EA_300 (line 13)
In Start (line 64)
In USPEX (line 39)
Individual : 120 -- JobID :675。
The structure after relaxation cannot satisfy distance constraint, please see the Warning ...
Warning: File 'lattice.stress_tensor' not found.
> In DeleteFiles (line 3)
In Clean_AbinitCode (line 44)
In Reading (line 225)
In ReadJobs (line 27)
In LocalRelaxation (line 52)
In EA_300 (line 13)
In Start (line 64)
In USPEX (line 39)
Individual : 120 -- JobID :675。
Despite explicitly adding FILENAME 'lattice.stress_tensor' to the &PRINT section of the CP2K input file (project name: USPEX), the issue remains unresolved. What steps should be taken to address this failure?
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