J*******3
发帖数: 1651 | 1 In DFT calculation, Usually if you take basis sets, you will not use plane
waves, or real space methods, correctly? Basically, they are independent of
each other, right?
thanks for any guidance! | A****0
发帖数: 1367 | 2 As an experimentalist with very limited DFT experiences, I recall that you
can still combine plane-waves with basis sets if pseudopotential is chosen.
But nobody uses real-space methods, except for oversimplified "toy" models.
plane
of
【在 J*******3 的大作中提到】
: In DFT calculation, Usually if you take basis sets, you will not use plane
: waves, or real space methods, correctly? Basically, they are independent of
: each other, right?
: thanks for any guidance!
| J*******3
发帖数: 1651 | |
|
