thread in abinit 7.4.3

Total energy, geometry optimization, DFT+U, spin....

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marsusi
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Joined: Sat Jul 06, 2013 10:22 am

thread in abinit 7.4.3

Post by marsusi » Mon Jan 20, 2014 9:07 pm

Dear all,

RS calculations on a cluster grid stops after checking for DATASETS for naphthalene monoclinic crystal, while the same RS calculations on this node is runing without problems for a FCC or BCC structure. Older abinit version was tested for this input file on a multiprocessors computer, and did not show problem for monoclinic crystal.

Regards,

Marsusi.
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