warning

Total energy, geometry optimization, DFT+U, spin....

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zinar
Posts: 5
Joined: Wed Feb 20, 2013 8:15 pm

warning

Post by zinar » Fri Mar 29, 2013 5:18 pm

Hello


I just want to ask about this warning all time it happen with me ion Abinit 7.0.5

getng.F90:199:WARNING
The second and third dimension of the FFT grid, 0 0 were imposed to be multiple of the number of processors for the FFT, 1
For input ecut= 1.000000E+01 best grid ngfft= 30 30 30
max ecut= 1.110330E+01

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jzwanzig
Posts: 504
Joined: Mon Aug 17, 2009 9:25 am

Re: warning

Post by jzwanzig » Sat Mar 30, 2013 11:29 am

This is normal, it just means that because you didn't specify the FFT grid explicitly, abinit is doing it for you based on the value of ecut you gave. This is expected behavior and nothing to worry about.
Josef W. Zwanziger
Professor, Department of Chemistry
Canada Research Chair in NMR Studies of Materials
Dalhousie University
Halifax, NS B3H 4J3 Canada
jzwanzig@gmail.com

zinar
Posts: 5
Joined: Wed Feb 20, 2013 8:15 pm

Re: warning

Post by zinar » Sat Mar 30, 2013 1:08 pm

ok tahnk you very much, but is it possible to make it don't appear.

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