Closed tmisawa closed 6 years ago
I fixed a bug. Please check it.
@tmisawa
This modification seems to be wrong.
When X->LanczosTarget > X->k_exct
, HPhi is always terminated.
Please fix it.
@k-yoshimi
When X->LanczosTarget > X->k_exct , HPhi is always terminated.
I think this is correct, because HPhi does not calculate the eigenvalues larger than X-> k_exct,
In ver.3.1.0, this bug is fixed.
In readef.c (940th line), LanczosTarget is checked by the following function:
ValidateValue(X->LanczosTarget, X->k_exct, X->Lanczos_max)
This means that LanczosTarget <= k_exc && LanczosTarget >= Lanczos_max. But, the second condition is wrong because LanczosTarget has no relation with Lanczos_max.