[Pw_forum] Understanding the calculation

Himani Mishra rse2016002 at iiita.ac.in
Wed Feb 22 07:46:14 CET 2017


Dear sir,

I am new here and having a doubt that after relaxation how I should ensure
that in scf and further calculations my relaxed structure is being taken
and not the structure I have taken initially?

Regards,
Himani MIshra
Research Scholar
IIIT Allahabad
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