[Pw_forum] Fwd:NMR of benzene

[Davide Ceresoli]

nlu at mail.ustc.edu.cn wrote:
> 	
> Sincerely thanks to Davide for your explaination. I would hope your further
> investigation.
> 
> Best wishes.
> Ning Lu
> 
Change your input to:

celldm(1) = 18.89725989

CELL_PARAMETERS
      1.500000     0.000000     0.000000
      0.000000     1.500000     0.000000
      0.000000     0.000000     1.000000


I apologize for the mysterious answer: I have an idea where the bug
is, but I don't understand why.

Bottom line: with ibrav = 0, please set celldm(1) to a not so small
value.

Davide