>if you can please give me more details about how to control the number of cell >relaxed , because it is the same with >different press-conv-thr . for example I want to relax only the c axis keeping >a and b fixes, by using cell-dofree='z' , >but I would give the number of c which i want to relax ? is that possible?!
Hi Imène, I'm not very sure that I understand, but I guess if you use cell-dofree='z' and vary press_conv_thr (to smaller values) and still get the same value of the c-axis after vc_relax than that indicates that the results that you get for the c-axis is not that sensitive to the stopping criterion imposed by press_conv_thr. If you the post the input file with more details then may be somebody with better expertise in this can help. Mostafa Y. MIT
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