[Q-e-developers] Undefined variables in espresso

[Vittorio Zecca]

More problems with espresso:

1) Example08: In S_PSI.f90 line 48 PSI undefined. My fix to zero
WFCATOM after its allocation in PROJWFC.f90

2) Example02: In SAVE_PH_INPUT.f90 LIST and ATOMO undefined. My fix is
to zero them in ALLOCATE_PART.f90 after their allocation

3) Example03: In SYMM_BASE.f90 line 729 IRT is undefined. My fix is to
zero it after its allocation.

4) Example04: In SAVE_IN_CBANDS.f90 line 41 DR2 is undefined. My fix
is to zero it in PW/ELECTRONS.f90

5) Example13: In ROTATE_WFC_K.f90 line 68 PSI is undefined. What is the fix?

6) Example18 and others: In FFT_TYPES.f90 line 531 STW is undefined.
INTENT(OUT) changed to INOUT and zero it in STICK_BASE after its
allocation.

7) Example33 and 34: In COMPUTE_DEFF.f90 line 18 DEEQ is undefined. I
zeroed it after its allocation in ALLOCATE_NLPOT.

Can you confirm my findings and my fixes? What is the fix for problem 5?

Thank you
Vittorio Zecca