Hi everyone,

I am currently running a single k-point calculation using abinit to compare the result with my own code. Since I want to compare the number of bases used in the abinit and my approach, and my calculation is only a single k-point calculation, I take mpw number in the ouput file as the number of basis functions being used in abinit. However, then I found in the ouput file, there are two npw, one is consistent with mpw, the other is npw (full set), which is two times larger than npw.

wfconv: 160 bands initialized randomly with npw=623757, for ikpt= 1

_setup2: Arith. and geom. avg. npw (full set) are 1247513.000 1247513.000

I think this is in the same case as in this page

http://estest.ucdavis.edu/exist/estest/ ... enzene.out

Could anyone kindly help me with the questions

a. why would the latter npw (full set) is 2 times greater than mpw?

b. which one should I refer to as the reference number of basis functions used in abinit?

Thanks a lot in advance for you guys kind help.