lshift_q

[ypanhtu]

Dear Dr. Paulatto,
I have some questions about D3Q, would you like to give any suggestion?

1. It seems that the key word lshift_q = .true. does not work for D3Q code.
2. For the QPOINTS crystal, it works well for the case 1 of hexagonal lattice while not work for the case 2 when running d3_r2q.x, why?

case 1 :
0.0000000000 0.0000000000 0.0000000000 1 !G
0.5000000000 0.0000000000 0.0000000000 20 !M
0.3333333333 0.3333333333 0.0000000000 20 !K
0.0000000000 0.0000000000 0.0000000000 20 !G

case 2:
0.0000000000 0.0000000000 0.0000000000 20 !G
0.5000000000 0.0000000000 0.0000000000 20 !M
0.3333333333 0.3333333333 0.0000000000 20 !K
0.0000000000 0.0000000000 0.0000000000 1 !G

Thanks so much.

Roc

HTU