[Pw_forum] integrated real space q too different from target q

Eduardo Menendez eariel99 at gmail.com
Wed Jan 3 10:09:28 CET 2018


Hi,
I am doing a slab calculation with tqr=.true., and I got this message in
the output of PWSCF
     Message from routine real_space_q:
       integrated real space q too different from target q
    1  1  1  0  0   1  0.24297765  0.24295980
    1  1  2  0  0   2  0.21802390  0.21800371
    1  2  2  0  0   3  0.17542597  0.17540267
    ...

Should I worry about it? I don not find significant differences in the
total energy and the forces seting tqr=.false. , but also not on CPU time.

Thank you

Eduardo Menendez Proupin
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