[Pw_forum] Hybrid functional q-point convergence error

[Lorenzo Paulatto]

On 04/12/2014 10:48 AM, Rajdeep Banerjee wrote:

> from exx_grid_init : error #         2
>       k + q is not an S*k
>      (ii) so I tried changing nqx1 = 2, nqx2 =2, nqx3 = 1 or nqx1 = 4, 
> nqx2 =4, nqx3 = 1 in which case the error went away but the program 
> stopped after the completion of self consistent calculation saying:


nq must be a divisor of nk in the same direction, in particular nq3 must 
always be one in your case


lp

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Dr. Lorenzo Paulatto
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