[CPMD-list] grid on real space

[Zhenyu LI]

Dear all,

I am a liitle confused on the grid on real space. We found that
MAXFFT=NNR1=KR1*KR2*KR3.
So we expect a grid from 0 to KR1-1, or from 1 to KR1. According to
PBC, in both case f(0)=f(KR1). But the real space wavefunction seems
normalized to 1/Sqrt(NR1*NR2*NR3) instead of 1/Sqrt(KR!*KR2*KR3), and
typically KR1=NR1+1.

Would anybody please clarify this issue for me, thanks!

best wishes,
zhenyu