Hello Prof. Paolo, thank you so much for your suggestion. I did as you said
and edited the file partialdos.f90 , I saved it and then I compiled the
whole QE suite as if I was installing from scratch. However the result is
the same. I tried with different values instead of f7.3, going up to f10.10
and the only thing that I perceive is that the number of *'s increases.
Here is my pdos_tot output file after using f10.10 in the f90 file:
# E (eV) dos(E) pdos(E)
********** 0.116E+02 0.109E+02
********** 0.950E+01 0.898E+01
********** 0.772E+01 0.730E+01
********** 0.620E+01 0.586E+0
...
At the pdos.out file I see that the energy appears as follows:
k = 0.0000000000 0.0000000000 0.0000000000
==== e( 1) = -218.23843 eV ====
psi = 0.985*[# 65]+0.004*[# 56]+0.002*[# 61]+0.001*[# 74]+
|psi|^2 = 0.993
Is there any insight that you could give me? Thanks in advance for your help
Dr. Juan Manuel Ramirez de Arellano
Profesor de Cátedra, Departamento de Ciencias,
Tecnologico de Monterrey, Calle del Puente 222, 14380, Tlalpan,
Mexico
Email: [email protected]
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