Hi, guys I have a problem about optical calculation.I am trying to calculate optical properties of graphene, but errors occured. the sets of optical calculation are as follows: "OpticalCalculation true
Optical.EnergyMinimum 0 eV Optical.EnergyMaximum 20 eV Optical.PolarizationType polycrystal #unpolarized Optical.Broaden 0.5 eV %block Optical.Vector 0.0 1.0 0.0 %endblock Optical.Vector and the errors are blow. siesta: Pressure (static): siesta: Solid Molecule Units siesta: 0.00003494 0.00003482 Ry/Bohr**3 siesta: 0.00320792 0.00319687 eV/Ang**3 siesta: 5.13971067 5.12200718 kBar (Free)E+ p_basis*V_orbitals = -5649.878581 (Free)Eharris+ p_basis*V_orbitals = -5649.878562 siesta: Electric dipole (a.u.) = -0.048362 0.000001 0.000000 siesta: Electric dipole (Debye) = -0.122923 0.000004 0.000000 MINVEC: BASIS VECTORS ARE LINEARLY DEPENDENT MINVEC: BASIS VECTORS ARE LINEARLY DEPENDENT ERROR STOP from Node: 0 ERROR STOP from Node: 0 abort: [caqh...@localhost graphene-zigzag-B]$ what is wrong with my calculation? any assistance is appreciated . thank you !
