[Pw_forum] Quick question about wannier90

xiaochuan Ge ustc.scgyer at gmail.com
Tue Aug 12 01:01:36 CEST 2014

Dear all,

I have a quick question for using wannier90. I am interested in a molecular
system with only gamma point included in the pw.x calculation. For some
reason I cannot use kpoint{gamma}, instead I have to use kpoint = (0, 0,0).
The consequence is that the ground-state wave-function is not always real.

My question is, in this case should I use gamma_only=.true.  in wannier90's
input. Thank you in advance for your response.

Dr. Xiaochuan Ge (Giovanni)
Center for Functional Nanomaterials
Brookhaven national laboratory
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