Dear all,

I have some questions about the "aliasing errors". I have set PREC=accurate in INCAR, but there are still warnings in the OUTCAR. Why?

For example, in one job, I set PREC=accurate. The info written in OUTCAR is

dimension x,y,z NGX = 84 NGY = 80 NGZ = 210

dimension x,y,z NGXF= 168 NGYF= 160 NGZF= 420

I would recommend the setting:

dimension x,y,z NGX = 83 NGY = 79 NGZ = 208

The FFT grid with 83, 79, 208 is approximaly 2G_cut. So the actual values used in calculation 84, 80 and 210 have already exceeded the 2G_cut. But in the following there are two warnings

WARNING: aliasing errors must be expected set NGX to 86 to avoid them

WARNING: aliasing errors must be expected set NGY to 82 to avoid them

Can I ask why this warning happen?

Is there any parameters in INCAR which can guarantee to avoid "aliasing errors"? It seems that PREC=accurate is not enough.

Thanks!

Best,

Binglun