<DIV>dear Detlef,</DIV>  <DIV> </DIV>  <DIV>thanks for your help.  <BR>Reducing dt from 100 to 20, I found "Entering Dynamics;  it = " increasing .<BR>However in all the case when P equaled about  -59 (kbar) the code stoped  and appeared <BR>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<BR>     from checkallsym : error #         3<BR>     not orthogonal operation<BR> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<BR>  stopping ...</DIV>  <DIV><BR>What do you think about it ?<BR>I want to  run the vc-relax code again using obtained new lattice constant until<BR>the stress convergence achieved. Is it right?</DIV>  <DIV><BR>thank you in adance</DIV>  <DIV> </DIV>  <DIV>Niu Li<BR></DIV><p>
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