[Pw_forum] difference in vc-relax and relax calculations

[Bipul Rakshit]

Dear PWSCF users,
I
I am doing calculation of LaMnO3. First I take the experimental lattice
constant and atomic positions, and then run first vc-relax. After the system
is relaxed. I use those lattice parameters and atomic position to do a relax
calculation.

But after running the vc-relax calculation i got appreciable very less
pressure(~ -0.69 kbar), but as soon as I run the relax calculation, I am
getting pressure of about -152.0 kbar. I didnt understand the error. Please
have a look at my files and suggest me.
regards
-- 
Dr. Bipul Rakshit
Research Associate,
S N Bose Centre for Basic Sciences,
Salt Lake,
Kolkata 700 098
India
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