[DFTB-Plus-User] get the Hamiltonian of graphene

jiaxu yan yanjiaxu at gmail.com
Fri May 9 14:14:54 CEST 2014


Dear all



I try to use WriteHS= true to get the k-space model Hamiltonian matrix of
graphene near *K* point. I wonder this is reasonable?

The obtained hamsqr1.dat seems containing real and imaginary part (REAL is
F). So I cannot get the eigenvalues of such matrix for the further analysis?



The related files are attached.



Wayne, Jiaxu

Division of Physics and Applied Physics

School of Physical and Mathematical Sciences

Nanyang Technological University, Singapore
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.dftb-plus.info/pipermail/dftb-plus-user/attachments/20140509/3c39af0e/attachment-0001.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: dftb_in.hsd
Type: application/octet-stream
Size: 966 bytes
Desc: not available
URL: <http://www.dftb-plus.info/pipermail/dftb-plus-user/attachments/20140509/3c39af0e/attachment-0005.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: hamreal1.dat
Type: application/octet-stream
Size: 30859 bytes
Desc: not available
URL: <http://www.dftb-plus.info/pipermail/dftb-plus-user/attachments/20140509/3c39af0e/attachment-0006.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: hamsqr1.dat
Type: application/octet-stream
Size: 3177 bytes
Desc: not available
URL: <http://www.dftb-plus.info/pipermail/dftb-plus-user/attachments/20140509/3c39af0e/attachment-0007.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: overreal.dat
Type: application/octet-stream
Size: 30859 bytes
Desc: not available
URL: <http://www.dftb-plus.info/pipermail/dftb-plus-user/attachments/20140509/3c39af0e/attachment-0008.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: oversqr.dat
Type: application/octet-stream
Size: 3177 bytes
Desc: not available
URL: <http://www.dftb-plus.info/pipermail/dftb-plus-user/attachments/20140509/3c39af0e/attachment-0009.obj>


More information about the DFTB-Plus-User mailing list