hi Q.E users I am trying to calculate band structure of graphene . but i dont know how i can set the k-point for bands calculation's . i calculate relax cal. with automatic k_point . and output of this cal. give the k_point in cart. coord . in units 2pi/alat or crystal coord. how i can convert this k_point to conventional K-point that used in normal input file of pw.x calculation? output file of relax calculation is attached.
best regard ehsan graduate student of iust -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140206/5010d692/attachment.html -------------- next part -------------- A non-text attachment was scrubbed... Name: relax.out Type: application/octet-stream Size: 46774 bytes Desc: not available Url : http://pwscf.org/pipermail/pw_forum/attachments/20140206/5010d692/attachment.obj
