Yttrium
version 1
  • Y param
  • Y OPIUM report file
  • Y psp in abinit (fhi) format
    		•  tests 1
  • Calculation for bulk (hcp):
    • Y Energy vs. Volume Plot
    Experimental Lattice Constant: 3.65, 5.73 Å
    Lattice Constant Error:-0.8946,1.0331 %
    Experimental Bulk Modulus: 0.598 N/m2
    Bulk Modulus Error: 10.594 %

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