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ELASTCON problem

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  • Igor12undefined Offline
    Igor12undefined Offline
    Igor12
    wrote last edited by
    #1

    Hello!
    I'm having trouble calculating the elastic tensor using the ELASTCON keyword.
    Every time, the calculation stops at STRAIN MATRIX 3
    The structure's geometry has been pre-optimized.
    Could you tell me what the problem might be and if it can be fixed?
    INPUT.d12
    fort34.txt
    fort87.txt

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    • aerbaundefined Offline
      aerbaundefined Offline
      aerba Developer
      wrote last edited by
      #2

      Let me run some tests

      Alessandro Erba
      Professor of Physical Chemistry
      Department of Chemistry, University of Torino
      [email protected]

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