Lanthanum
version 1
  • La param
  • La OPIUM report file
  • La psp in abinit (fhi) format
  • tests 1
  • Calculation for bulk (bcc):
  • La Energy vs. Volume Plot
    Experimental Lattice Constant: 3.75, 6.071 Å
    Lattice Constant Error:0.768, 0.772 %
    Volume Error: 2.135 %
    Experimental Bulk Modulus: 0.243 N/m2
    Bulk Modulus Error: -1.048 %

    Back to Table