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[Aloysius Soon <aloysius@physics.usyd.edu.au>]

Dear all users,
Could anyone comment on how to estimate a good agreement of 
compensation charges inside the spheres when doing a PAW 
calculation, and if the agreement is not good, is there a 
way to improve this agreement by tuning which tag keywords?

 PAW TEST:
 ==== Compensation charge inside spheres ============
 The following values must be equal...
 Compensation charge over spherical meshes = 
17.234145660105135
 Compensation charge over fine fft grid    = 
17.234066318343519


Thanks.



--
Aloysius Soon
Condensed Matter Theory Group
School of Physics A28, Room 361
The University of Sydney, NSW 2006 Australia
Phone: +61 2 903 65389
Fax: +61 2 935 17726
Email: aloysius@physics.usyd.edu.au
Web: http://www.physics.usyd.edu.au/~aloysius/
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Old time is still a-flying,
And this same flower that smiles today,
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                        ROBERT HERRICK
                        1591-1674
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