Dear Siesta Users,
I was confused about the K-point in transiesta calculation. for example:
%block kgrid_Monkhorst_Pack
a 0 0 0.0
0 b 0 0.0
0 0 c 0.0
%endblock kgrid_Monkhorst_Pack
some articles set a=b=1, c about 20 to 30.
while some others set a=b=3~6, c=1.
I hear from the http://emuch.net/bbs/ that transiesta would not take c in to
account, namely there would be no difference between c=1 and c=30.
but I got different results when set a=b=2, c=1 and a=b=2, c=9. so I think that
it might be incorrect.
some other people says that the value of a, b, c should be different for the
periodic systems and nonperiodic systems.
I am wondering how to set them on earth.
Thank you very much for your help. I look forward to your responses!
