Dear Siesta users
I'm trying to apply the "external field" routine to a graphene nano-ribbon.
In this case the a-axis is the "bulk" one, while b a c axis are quite large in
order to generate a "chain".
The run starts normally, but i found this "error message", and it is still
running:
=====================================================
outcell: Cell vector modules (Ang) : 2.494285 19.578139 13.342223
outcell: Cell angles (23,13,12) (deg): 90.0566 89.9882 89.9946
outcell: Cell volume (Ang**3) : 651.5465
iodm: Reading Density Matrix from files
InitMesh: MESH = 24 x 180 x 120 = 518400
InitMesh: Mesh cutoff (required, used) = 200.000 223.567 Ry
efield: ERROR: Non zero bulk electric field.
efield: Input field (Ry/Bohr/e) = 0.000000 0.007779 0.000000
efield: Orthogonalized field = 0.000000 0.007779 0.000000
=================================================
This is a real error? or just a warning? My doubt emerges from the fact
that the calculation is still running.
Thanks in advance
Ricardo
-------------------------------------------------------------------------
----- Dr. Ricardo Faccio
Mail: Cryssmat-Lab., Cátedra de Física, DETEMA
Facultad de Química, Universidad de la República
Av. Gral. Flores 2124, C.C. 1157
C.P. 11800, Montevideo, Uruguay.
E-mail: [EMAIL PROTECTED]
Phone: 598 2 9241860 Int. 109
598 2 9290705
Fax: 598 2 9241906
Web: http://cryssmat.fq.edu.uy/ricardo/ricardo.htm
