Dear transiesta users:
I have done a transiesa calculation ,now I need project the DOS to the
molecular orbitals and project the Transmission coefficient to the molecular
orbitals.
Anyone can help me ?
Thanks in advance!
2010-07-21
Guangping Zhang
Hello everyone
When I set the external electronic field, I always meet such warning:
WARNING: both ext. voltage and field !!
WARNING: will neglect voltage !!
When I set different external electronic fields,however the current doesn't
change.
Would you like to give me some help ?
Dear siesta users and developers：
I found for transiesta in siesta-3.0-rc2 of parrellel compiled,
as I followed every steps in the manual on Tests/transiesta/Fast,
exactly same fdf,
I got different results from example output in Fast/Scat/OUT and OUT_TBT.
In example output in Fast/Scat/OUT:
cox
Hi Rob,
You might be interested in the Atomic Pseudopotential Engine (search the
web). Don't ask me anything, I've never used it, but it seems to ba
capable of doing what you want.
Regards,
Roberto
On Tue, 20 Jul 2010, Koch, Robert J wrote:
Hello all,
Does anyone have access to the c
Hello all,
Does anyone have access to the code used in PRB 68, (2003): "First-principles
norm-conserving pseudopotential with explicit incorporation of semicore states"
(Carlos L. Reis, J. M. Pacheco, and Jose Luıs Martins)
Their paper says it is freely available fromRB http://aloof.cii.fc.ul.p
