ABINIT Discussion Forums

Dear friend , I want to calculate a GW jobs for a Structure of carbon but i have an Error ... how can I handle with this problem . ''''''''''''A PART OF MY LOG '''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''' Calculating <nk|Sigma|nk> at k = 0.333 0.333 0.250 bands n = from 4 to 5 calc...

Dear friends,
I want to plot the band structure of graphene in the C2MM space group but I can not find the kptbounds
of graphene in this symmetry
my xred is 1/3 0 0
would U please help me ?
how can i calculate the kptbounds generally ?
thanks in advance .

hi , i think you can use Abinit tutorial for the band structure of Si & then use xred instead of xangst the xred for one layer graphene is xred 1.3333333333333335 1.6666666666666665 0.5000000000000000 -1.3333333333333335 -1.6666666666666663 0.5000000000000000 & if you want to use spgroup191 ...

Dear Abinit users ...

I want to install the Abinit code on Debian linux
but i dont know how to do this .
is there any tutorial or lesson to help me to install it .....

best regards ,

dear abinit users i want to plot a band structure my stucture is honeycomb & when i define my structure in hexagonal spacegroup & use xred 0.333333333333 0.666666666667 0.5000000000000 0.666666666667 0.333333333333 0.5000000000000 in this case my band stucture is true but when I want to defi...