Dear Jiaxu, please find attached input file that works. An explanation why it is so you can find in my previous email.
2014-05-05 20:29 GMT+06:00 jiaxu yan <yanjiaxu at gmail.com>: > Hi all > > Sorry to bother you again. Still the same problem: After scf and nscf > calculations, I want to obtain the model Hamiltonian using wannier_ham.x > for graphene. > I have tried different version of pwscf and different potential...But it > always failed and one error always occurs: > > > > > * > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > Error in routine wannier_proj (1): wrong orthogonalization on > k-point > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%* > > * stopping ... * > > I am struggling and need help.... Anyone can help me fixing this problem? > All related files are attached. > > > Wayne, Yan > Division of Physics and Applied Physics > School of Physical and Mathematical Sciences > Nanyang Technological University, Singapore > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- Best regards, Dr. Dmitry Korotin Institute of Metal Physics S. Kovalevskaya, 18 620990 Yekaterinburg Russia -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140507/22d1422c/attachment.html -------------- next part -------------- A non-text attachment was scrubbed... Name: wannier_hamilt_my2.in Type: application/octet-stream Size: 184 bytes Desc: not available Url : http://pwscf.org/pipermail/pw_forum/attachments/20140507/22d1422c/attachment.obj
