Re: Lattice

From: Biagio Di Micco (dimicco@fis.uniroma3.it)
Date: Sun Mar 16 2008 - 10:18:08 CET

  • Next message: John Clem: "Re: Lattice"

    > In the OUT file, the message "Exit being called from G1,
    > next region not found." appears at the end...
    This error comes out when the lattice transformation is wrong.
    Check that the lattice replica are exactly the same of the base cell
    definition, and that the lattice transformation from one lattice cell
    goes in the base cell.
    If everthing is ok maybe it is a rounding problem.
    In the definition of the base transformation in LFIRST group you use
    single precision number. Try to put D0 at the end.
    c ZSTRZZ(icntxx) = (iii-3) * 112.500 * 2.0
                 ZSTRZZ(icntxx) = (iii-3) * 225.0
    c YSTRYY(icntxx) = (jjj-3) * 286.79 * 2.0
                 YSTRYY(icntxx) = (jjj-3) * 573.58
    c XSTRXX(icntxx) = (kkk-3) * 117.28 * 2.0
                 XSTRXX(icntxx) = (kkk-3) * 234.56
    becomes
      ZSTRZZ(icntxx) = (iii-3) * 112.500D0 * 2.0D0
                 ZSTRZZ(icntxx) = (iii-3) * 225.0D0
    c YSTRYY(icntxx) = (jjj-3) * 286.79D0 * 2.0D0
                 YSTRYY(icntxx) = (jjj-3) * 573.58D0
    c XSTRXX(icntxx) = (kkk-3) * 117.28D0 * 2.0D0
                 XSTRXX(icntxx) = (kkk-3) * 234.56D0

    bye,

             Biagio

    > In LOG file, we get the the statement "STOP TOO MANY ERRORS IN GEOMETRY: STOP statement execute
    >
    >
    >
    >
    >> John Clem
    >> Research Associate Professor
    >> Bartol Research Institute
    >> Department of Physics and Astronomy
    >> University of Delaware
    >> Newark, DE 19716 USA
    >> 302-831-4354
    >
    >


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