 Re: About Transport calculation ( No.1 ) |
- Date: 2006/11/29 14:03
- Name: T.Ozaki
- Hi,
The capability for the transport calculations has not been reached
to the proper stage for public release yet.
Thank you very much for your patient.
Regards,
TO
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| Re: About Transport calculation ( No.2 ) |
- Date: 2006/11/29 17:16
- Name: Hai-Ping Lan
- Dear Professor,
Thank you for your reply.
I then browsed the source code, and found there are some changes in V3.1.
I would like to know whether all functions about transport calculation such as surface green function /selfenergy/contour integral of density/biased transport calculation are implemented . I wanna do transport calculation on some small molecules, and i have some basic knowledge of NEGF scheme for transport calculation. Could you give me some suggestion for studying transport with OpenMX ?
Regards,
Hai-Ping
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| Re: About Transport calculation ( No.3 ) |
- Date: 2006/12/01 10:53
- Name: T.Ozaki
- Hi,
Thank you for paying attention to the transport calculation in OpenMX.
As you saw in the codes, the most of functionalities have been implemented.
However, a couple of issues remain to be checked so that the realiability
of the implemented codes can be assured as well as the theories.
And we think that at this moment it is not time for the public release.
Regards,
TO
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About Transport calculation