Maybe google? fXX.YY means XX places for printing, of which YY after the
decimal point.
Try f20.10
nic
On 22/02/2019 10:00, Juan Manuel Radear wrote:
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] <mailto:[email protected]>
_______________________________________________
users mailing list
[email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
--
----------------------------------------------------------------------
Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
Director, National Centre for Competence in Research NCCR MARVEL, EPFL
http://theossrv1.epfl.ch/Main/Contact http://nccr-marvel.ch/en/project
_______________________________________________
users mailing list
[email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
