Is there any method to know that the energy gap is direct or indirect, from the output file of Gaussian software, I mean by the results of HOMO and LUMO?
they found a method of molecular orbital calculations by using single point beasd on RHF, the summation of HUMO orbital and LUMO orbital .return up to the manual of Gaussian programming.
Dear Hamad
i think that you study a crystal or at least a 1D structure such as nanotube or nanowire to spaek about the direct or indirect gap.
so direct gap means that both HOMO and LUMO level's are located at the same k point while in the case of indirect gap they will be located in different k points. so you can just verify the output file containing the eignvalues or calculate the band structure of your structure by scanning the brillouin zone and this can give you an exact picture on the electronic structure of your material
best regards
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