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µ°µ°Ð¡Í¯Ð¬: ½ð±Ò+2, лл²ÎÓ룬Сľ³æ¹ÄÀø»ý¼«»Ø´ðÎÊÌâÕß 2016-09-06 18:00:57
lisu555: ½ð±Ò+3, ¡ï¡ï¡ïºÜÓаïÖú 2016-09-13 22:48:31
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10Â¥2016-09-06 17:39:35
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µ°µ°Ð¡Í¯Ð¬: ½ð±Ò+2, лл²ÎÓë 2016-09-02 20:36:11
lisu555: ½ð±Ò+3, ¡ï¡ï¡ïºÜÓаïÖú 2016-09-03 08:33:37
lisu555: ½ð±Ò+4, ¡ï¡ï¡ïºÜÓаïÖú 2016-09-13 22:49:06
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      We strongly recommend to use only Gamma centered grids for hexagonal lattices. Many tests we have performed indicate that the energy converges significantly faster with  centered grids than with standard Monkhorst Pack grids. Grids generated with the ``M'' setting in the third line, in fact do not have full hexagonal symmerty.
http://blog.sciencenet.cn/u/pfliu89
3Â¥2016-09-02 19:25:54
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lisu555

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3Â¥: Originally posted by ÂþÌìÆ®Ñ© at 2016-09-02 19:25:54
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      We strongly recommend to use only Gamma centered grids for hexagonal lattices. Many tests we have performed indicate that the energy converges significantly faster with  centered gr ...

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4Â¥2016-09-03 08:32:45
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http://blog.sciencenet.cn/u/pfliu89
5Â¥2016-09-03 09:27:48
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