[Pw_forum] Kponts generation from kpoint.x

[vtmtrinh at caltech.edu]

Dear Pwscf,

I run a nscf calculation with k-point grid of 12x12x12 (automatic).  From
the output of pw.x, I saw 163 kpoints were generated and computed.  Since
I would like to get the whole 3D-band structure, I run kpoint.x to get
other kpoints.  A number of kpoints generated by pw.x (for the nscf
calcultion) could be found te coincide with those generated by kpoint.x. 
However, there many kpoints generated by pw.x could not found in the
output of kpoint.x.  I am not sure about the reason why there is the
difference here: Is it due to reverse symmetry or something else?   I
appreciate very much if you could tell me why.

Best,

Trinh Vo

JPL/CalTech