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yangjun102

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[½»Á÷] ´ó¼ÒÄÜ̸̸PBEsol·ºº¯Âð ÒÑÓÐ4È˲ÎÓë

PBEsol·ºº¯µÄÓÅÊÆÔÚÄÄ£¿ÊÇ·ñ°üº¬Á˲¿·Övdw£¿Çë´ó¼Ò̸̸×Ô¼ºµÄÈÏʶ¿´·¨¡£

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yjwyjwyjw

Òø³æ (СÓÐÃûÆø)

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PBEsolÔõôÉèÖÃÄØ£¿
5Â¥2016-03-31 20:34:45
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liqizuiyang

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PBEsolid£¬¾Ý˵Ëã¾§¸ñ³£Êý±È½Ï×¼¡£
2Â¥2015-09-01 21:44:31
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hakuna

ľ³æ (ÖªÃû×÷¼Ò)

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PBEsol is intended to improve on PBE for equilibrium properties such as bond lengths and lattice parameters, but typically is worse for dissociation or cohesive energies.
pls find here a code for PBEsol
http://dft.uci.edu/pubs/PBEsol.html
3Â¥2015-09-02 06:59:36
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identation

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