Dear All<div><br></div><div>I <span style="background-color: transparent;">would like to do </span><span style="background-color: transparent;">CELL_OPT for testing </span><span style="background-color: transparent;">Iridium element. But the </span><span style="background-color: transparent;">optimization </span><span style="background-color: transparent;">lasted only one step. Then </span><span style="background-color: transparent;">CELL_OPT seemed to have been suspended. Could anybody help me check the problem?</span></div><div><span style="background-color: transparent;"><br></span></div><div><span style="background-color: transparent;">The input and output files are attached.</span></div><div><span style="background-color: transparent;">The output file's l</span><span style="background-color: transparent;">ast few lines:</span></div><div><i> Convergence check :<br> Max. step size             =         0.0054386256<br> Conv. limit for step size  =         0.0030000000<br> Convergence in step size   =                   NO<br> RMS step size              =         0.0022203093<br> Conv. limit for RMS step   =         0.0015000000<br> Convergence in RMS step    =                   NO<br> Max. gradient              =         0.0039399858<br> Conv. limit for gradients  =         0.0004500000<br> Conv. for gradients        =                   NO<br> RMS gradient               =         0.0016084922<br> Conv. limit for RMS grad.  =         0.0003000000<br> Conv. for gradients        =                   NO<br> Pressure Deviation [bar]   =    -22059.3272696081<br> Pressure Tolerance [bar]   =       100.0000000000<br> Conv. for  PRESSURE        =                   NO<br>---------------------------------------------------<br><br>--------------------------<br>OPTIMIZATION STEP:      2<br>--------------------------</i><br></div>

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