Tantalum
version 1
  • Ta param
  • Ta OPIUM report file
  • Ta psp in abinit (fhi) format
    		•  tests 1
  • Calculation for bulk (bcc):
    • Ta Energy vs. Volume Plot
    Experimental Lattice Constant: 3.30 Å
    Lattice Constant Error:-3.30 %
    Volume Error: -10.03%
    Experimental Bulk Modulus: 2.00 N/m2
    Bulk Modulus Error: 12.14 %

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