Introduction to Solid State theory, DFT and the APW-method - WIEN 2k
Introduction to Solid State theory, DFT and the APW-method - WIEN 2k
Introduction to Solid State theory, DFT and the APW-method - WIEN 2k
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<strong>DFT</strong> ground state of iron• LSDA• NM• fcc• in contrast <strong>to</strong>experimentGGALSDAGGA• GGA• FM• bcc• Correct latticeconstantLSDA• Experiment• FM• bcc