I used material studio app dmol3 module for geometry optimization for a nanotube, and then I calculated its energy, for some of gas phases and I actually had the outmol file which allows me to obtain DOS , Population analysis and anything I checked in properties. but in solvent model and other gas phases for this non-periodic nanotube the software does not give me the outcome which should be in .outmol file ,although it tells me that the process finished successfully?!
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