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[求助]
Li原子能量计算
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用Dmol3计算，20x20x20格子，总是出错 Error: inconsistency in grid generation. This most likely means that the symmetry of the system is not allowing the grid to be properly partitioned. Please consider setting symmetry to "off" or snapping the system to higher symmetry if using the visualizer. Error: inconsistency in grid generation. This most likely means that the symmetry of the system is not allowing the grid to be properly partitioned. Please consider setting symmetry to "off" or snapping the system to higher symmetry if using the visualizer. Checked out license feature: MS_dmol_site <v2013.10> [for msi] (2 copies) Checked out license feature: MS_dsolid_site <v2013.10> [for msi] (2 copies) DMol3.pl message: DMol3 job finished in 0 hr 0 min 10 sec. 考虑去掉对称性后，同样的错误提示 |
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2楼2019-09-30 21:45:34
