6 lines
395 B
Plaintext
6 lines
395 B
Plaintext
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This example is for the test of the interface between ATAT and Quantum-ESPRESSO code using Mo-W binary alloy in BCC structure.
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LDA-PZ is used as xc-functional and pseudo-potentials are generated in Goedecker/Hartwigsen/Hutter/Teter scheme. (ref.: Phys.Rev.B58, 3641 (1998); B54, 1703 (1996))
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The data and figures shown in "Result" directory are not the final converged results of calculation.
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