[Pw_forum] bfgs vc-relaxation in 4.0cvs

[Jess Kondor]

Dear all,

 I have noticed that new pre-release 4.0CVS version has an option to
optimize cell parameters using BFGS method. However, when using this option,
the computation often fails with message "from checkallsym : not orthogonal
operation".  I'm probably wrong, but I thought that BFGS should not break
the symmetry. Is it correct?

Regards,
  JK


-- 
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Jess Kondor

PICYT, Av. Venustiano Carranza 2425-A, San Luis Potosí 78210, México

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