ABINIT Discussion Forums

My teacher said that in my task there is 4 atoms of Boron in FCC. Bun i cant find this structure in free database. m I find only 5 and 2 atoms. Where can i find xred for my task ? #Definition of the unit cell acell 3*4.400 #red #My params # This is equivalent to 10.217 10.217 10.217 \\ rprim 0.0 0.5...

I would like to get consultation and to pay for it. Can anybody help me? This is my input file rystalline silicon # # Computation of the band structure. # First, a SCF density computation, then a non-SCF band structure calculation. ndtset 2 #Dataset 1 : usual self-consistent calculation kptopt1 1 # ...

Hello, i am newby in Abinit, and i need a help. I need to plot band structure of the Boron with face-centered cubic lattice and with lattice parameter 2.3284 angstrom I suppose that i will do it with abinit on nanohub, but i don't know how to configure input file for boron with specific parametres( ...