[Pw_forum] bands.x

xiaochuan Ge ustc.scgyer at gmail.com
Fri Nov 7 20:04:14 CET 2014


Sorry I made a mistake, you do not set this variable by hand, you should
use kpoint 0 0 0 instead of using kpoint{gamma}

On Friday, November 7, 2014, xiaochuan Ge <ustc.scgyer at gmail.com> wrote:

> You may want to try to set "gamma_only=.false." In your scf calculation.
>
> On Friday, November 7, 2014, Manu Hegde <mhegde at uwaterloo.ca
> <javascript:_e(%7B%7D,'cvml','mhegde at uwaterloo.ca');>> wrote:
>
>> Hello All,
>>
>> I am using latest version if QE (5.1). Is the error regarding gamma point
>> fixed.? I was just trying to plot the bands it was showing the same error.
>> I have gone through the previous threads, I did what suggested by you guys.
>> But still it is showing the error. Any suggestions?.
>>
>> Error in routine bands (1):
>>      gamma_only case not implemented
>>
>> Regards,
>> Manu
>>
>
>
> --
> ===================
> Dr. Xiaochuan Ge (Giovanni)
> Center for Functional Nanomaterials
> Brookhaven national laboratory
> ===================
>
>

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