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://pwscf.org/pipermail/pw_forum/attachments/20140428/bc3eff04/attachment.html -------------- next part -------------- A non-text attachment was scrubbed... Name: graphene.scf Type: application/octet-stream Size: 801 bytes Desc: not available Url : http://pwscf.org/pipermail/pw_forum/attachments/20140428/bc3eff04/attachment.obj -------------- next part -------------- A non-text attachment was scrubbed... Name: graphene.nscf Type: application/octet-stream Size: 7644 bytes Desc: not available Url : http://pwscf.org/pipermail/pw_forum/attachments/20140428/bc3eff04/attachment-0001.obj -------------- next part -------------- A non-text attachment was scrubbed... Name: wannier_hamilt.in Type: application/octet-stream Size: 153 bytes Desc: not available Url : http://pwscf.org/pipermail/pw_forum/attachments/20140428/bc3eff04/attachment-0002.obj -------------- next part -------------- A non-text attachment was scrubbed... Name: wannier_hamilt.out Type: application/octet-stream Size: 1831 bytes Desc: not available Url : http://pwscf.org/pipermail/pw_forum/attachments/20140428/bc3eff04/attachment-0003.obj
