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regarding example BN

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  1. 2009-02-02 08:47:23 UTC
    Dear all,
    with respect to the phase transition pressure,i have run the example BN in both the (zincblende & wurtzite) cases by varrying value of lattice constant.But it is taking too much time (6 to 7 hours ) in wurtzite phase which didn't happen in zinc blende phase. So may i request you to please guide me what changes should i make in the input .in file given below.

    tasks
    0

    autormt
    .true.

    lmaxvr
    8

    xctype
    26

    avec
    2.4204000 -4.1921328 0.0000000
    2.4204000 4.1921328 0.0000000
    0.0000000 0.0000000 7.9050264

    sppath
    '../../../species/'

    atoms
    2
    'B.in'
    1
    0.500 0.666 0.375 0.0 0.0 0.0
    'N.in'
    1
    0.333 0.666 0.000 0.0 0.0 0.0

    ngridk
    8 8 8

    vkloff
    0.25 0.5 0.625

    Thanks
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