[Octopus-users] output current density in 3D
luos at msu.edu
luos at msu.edu
Sat Apr 17 06:44:46 WEST 2010
You are right. There is no magnetic field. I am running with real wavefunctions. And the current is zero.
So octopus will not write current to a .dx file unless it is nonzero? In a 3D system, how is the current written in a .dx file if it is not zero? I mean in a file, is each component written as a column vector?
Quoting David Strubbe <dstrubbe at berkeley.edu>:
> Are you running with complex wavefunctions? If not, then the current density
> is not written, because it is zero. Moreover, even if you force complex
> wavefunctions, I think the current density should still be zero unless you
> have broken time-reversal symmetry by a magnetic field, or have spin-orbit
> On Fri, Apr 16, 2010 at 10:14 AM, <luos at msu.edu> wrote:
>> Dear All,
>> Could you please tell me how to output paramagnetic current dentisy? I am
>> running a 3D model with ground state DFT, and I need to output the
>> paramagnetic current density. I tried a few command lines, but none of them
>> works. The following is one of them,
>> Output = density + current
>> OutputHow = dx
>> I can find the density- file, but not the current- file.
>> And i tried other outputhow variables, not working.
>> Can someone please tell me how to output the current? It is a 3D model.
>> Octopus-users mailing list
>> Octopus-users at tddft.org
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