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Atoms.UnitVectors.Unit Date: 2011/08/04 19:44 Name: wsajad   <wsajad44@gmail.com> Respected sir, i am not able to calculate the band dispersion of PbTe wen i run scf for the cluster calculations. i cant define following for PbTe cluster calculation; Atoms.UnitVectors.Unit Ang # Ang|AU <Atoms.UnitVectors 18.0 0.0 0.0 0.0 15.0 0.0 0.0 0.0 22.0 Atoms.UnitVectors> please suggest me the unitcell for my system. thanks

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Re: Atoms.UnitVectors.Unit ( No.1 ) Date: 2011/08/22 03:34 Name: mahyar  <mahyar_rezvani1322@yahoo.com> Hi Dear Doctor I want to see that achive UnitVectors for openmx program . for example periodic(CNTs) or nonperiodic(C60) ...... with warm regards M.Rezvani Phd. student inorganic chemistry

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