[Q-e-developers] Undefined variables in espresso

Vittorio Zecca zeccav at gmail.com
Mon Jun 10 08:47:19 CEST 2013


Hi there, I just downloaded espresso 5.0.3 (5.0.2 with patches
applied) and I found two issues:

In addusdens.f90 line 104 there is a shape mismatch because tbecsum
has one element,
while becsum has four.
This is running test case spinorbit.in

In c6_tfvw.f90 line 369 should be "DO I=2,MESH" otherwise PP(0) is accessed

Can you please look into them?
Could file O.pbe-rrkjus.UPF be corrupted or too short?

More issues I found regarding access to undefined variables and
attempts to compute 0**0

Best regards
Vittorio Zecca



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