Silicon PAW GGS PBE pawio_print_ij: WARNINGs
Posted: Tue Dec 13, 2016 10:16 pm
Hi, I'm performing convergence studies on monolayer silicon (silicene) with abinit 7.8.2 . I'm using the file Si.GGA_PBE-JTH.xml from the JTH PAW atomic datasets table as my pseudopotential, but no matter the configuration, I always get this warning 300+ times:
Also, I get this once towards the beginning of the file:
Is there any way to fix this, or is this even a significant issue? My only other work around is to use the old 2009 pseudopotentials...
Thank you for your time.
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pawio_print_ij: WARNING -
The matrix seems to have high value(s) !
( 1 components have a value greater than 50.0).
It can cause instabilities during SCF convergence.
Action: you should check your atomic dataset (psp file)
and look for "high" projector functions...Also, I get this once towards the beginning of the file:
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pawpsp_calc: WARNING -
Max. radius for Vloc was too large (> 20.00 a.u.) !
Numeric noise was possible.
Mesh size for Vloc has been set to 1772.
Compensation charge density is not taken into account in XC energy/potential
beta integral value: -0.150771E+06
pspatm: atomic psp has been read and splines computedIs there any way to fix this, or is this even a significant issue? My only other work around is to use the old 2009 pseudopotentials...
Thank you for your time.