[Q-e-developers] Undefined variables in espresso

[Vittorio Zecca]

Hi there, I just downloaded the April 8th snapshot of espresso and
running example01 I found the following issues involving undefined
variables:

1) In HINIT0.f90 line 57 IGK is undefined.
    I fixed this one putting INTENT(INOUT) IGK in GK_SORT and zeroing IGK after
its allocation in ALLOCATE_NPUT.f90

2) In V_OF_RHO.f90 line 620 V is undefined. My fix: INTENT(INOUT) V in
V_OF_RHO and GRADCORR.f90. Also, in SCF_MOD.f90 RHO%OF_R=0 after its
allocation

3) In ADD_VUSPSI.f90 line 172 HPSI is undefined. I put INTENT(INOUT) HPSI there.

4) In ROTATE_WFC_K.f90 line 104 AUX is undefined. To fix this one I put
INTENT(INOUT) HPSI in H_PSI.f90

5) In S_PSI.f90 line 48 PSI is undefined. I put INTENT(INOUT) WFCATOM
in ATOMIC_WFC.f90

Can you confirm my findings and my fixes?

Best regards
Vittorio Zecca