01_pw_Al
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01_pw_Al
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Showcasing different charge mixing methods - INPUT_1 : broyden mixing with beta=0.7, takes 5 steps to converge - INPUT_2 : plain mixing with beta=0.7, takes 8 steps to converge - INPUT_3 : broyden mixing with beta=0.2, takes 6 steps to converge - INPUT_4 : plain mixing with beta=0.2, takes 37 steps to converge