[Pw_forum] vc -relax vs single point

[shruba at gmail.com]

 Thanks a lot Cesar,
   Your suggestion was really helpful.
Still in vc -relax calculation I am facing some issues, the optimum lattice
parameter shows a 0.1 Angstrom difference in the calculation, though I used
same K points and cut off and other parameter, anyone please suggest me some
clues or references for that, I checked cell_factor parameter and wmass
parameter those are not making much difference.
Thanks in advance
                                                    shruba gangopadhyay
-- 
shruba gangopadhyay
graduate student
department of chemistry
university of central florida
orlando, FL-32826
'friendship doubles joys and reduces sorrows by half' (Francis Bacon).
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