[Pw_forum] Fwd: Error when using wannier_ham.x for graphene

jiaxu yan yanjiaxu at gmail.com
Mon Apr 28 16:20:59 CEST 2014


Hi

I have followed Sclauzero Gabriele's suggestions and the error still occur:




* %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine wannier_proj (1):     wrong orthogonalization on
k-point %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%*

Anyone know about it? All related files are attached...

Wayne, Yan
Division of Physics and Applied Physics
School of Physical and Mathematical Sciences
Nanyang Technological University, Singapore
yanjiaxu at gmail.com <http://pwscf.org/mailman/listinfo/pw_forum>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140428/bc3eff04/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: graphene.scf
Type: application/octet-stream
Size: 802 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140428/bc3eff04/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: graphene.nscf
Type: application/octet-stream
Size: 7645 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140428/bc3eff04/attachment-0001.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: wannier_hamilt.in
Type: application/octet-stream
Size: 154 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140428/bc3eff04/attachment-0002.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: wannier_hamilt.out
Type: application/octet-stream
Size: 1832 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140428/bc3eff04/attachment-0003.obj>


More information about the users mailing list