[CP2K-user] Problem running CELL_OPT

Nimali Rathnayake nimalira... at gmail.com
Fri Jan 24 00:25:06 UTC 2020


  Dear cp2k users,

I would like to perform a CELL_OPT  for lithium and graphite system.
But, once I submitted my job, it keep stalling after one step and It
doesn't generate .XYZ file.

I have attached my .inp and .out file for your reference.

Kindly requesting from your help to fix this problem.

Thank you.

Kind regards,

Nimali
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