7.2.2 crash in calculation of "Magnetic Moment"

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hnf191
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Joined: Mon Jun 03, 2013 11:11 am

7.2.2 crash in calculation of "Magnetic Moment"

Post by hnf191 » Wed Oct 23, 2013 3:25 pm

I run abinit to calculate energies for magnetic compound of Fe4N. The real Magnetization value should be around 8[bohr magneton] in relaxed structure, but abinit calculates different values for "Magnetization" with the same input file: sometimes around 8 and sometimes very near to 0.
Need help
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