X grid not uniform

[HIMANIM]

Dear sir,

I have used 5x5x5 k mesh grid for bulk MoS2 simulation in quantum espresso which is providing uniform grid when doing yambo calculations but same k mesh grid is not generating uniform k mesh grid for monolayer MoS2. I have also used force_symmorphic= true.
What should I do in order to make the X grid uniform for yambo calculations?

Regards,
Himani Mishra
RSE2016002
IIIT Allahabad

[amolina]

Dear Himanim,
In principle QE should be able to generate uniform grid for monolayer MoS2. In any case, for monolayer MoS2 you should use a 2D Brillouin zone, that is, a 5x5x1, 6x6x1, and so on. In case it doesn't work, can you upload the output of QE and yambo?

[HIMANIM]

Dear Sir,
I have done all the calculations again with 12x12x1 k mesh but still getting non uniform grid in yambo. I have attached the yambo report fiile after initialisation. Please tell me where is the mistake.?

[HIMANIM]

These are the QE input files.