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liliangfang: ½ð±Ò+2, лл½»Á÷ 2013-04-27 15:41:04
fengnan127: ½ð±Ò+1, ¡ïÓаïÖú 2013-04-28 14:04:46
fengnan127: ½ð±Ò+5 2013-05-12 15:11:03
It is recommended to use this mode only after pre-converging the orbitals without the LDIPOL flag, and the center of charge should be set in the
INCAR file (DIPOL= center of mass).
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2Â¥2013-04-22 21:11:58
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fengnan127

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fengnan127

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ÒýÓûØÌû:
2Â¥: Originally posted by wuli8 at 2013-04-22 21:11:58
It is recommended to use this mode only after pre-converging the orbitals without the LDIPOL flag, and the center of charge should be set in the
INCAR file (DIPOL= center of mass).

°æÖ÷£¬ÎÒ¸øÌåϵ¼ÓÁË0.1¡¢0.3¡¢0.5µÄµç³¡Ç¿¶È£¬µ«Ìåϵ̬ÃܶÈûÓб仯£¬ÄÜ·ñ°ïÎÒ·ÖÎöÒ»ÏÂÔ­Òò£¿
4Â¥2013-04-25 13:33:02
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wuli8

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4Â¥: Originally posted by fengnan127 at 2013-04-25 13:33:02
°æÖ÷£¬ÎÒ¸øÌåϵ¼ÓÁË0.1¡¢0.3¡¢0.5µÄµç³¡Ç¿¶È£¬µ«Ìåϵ̬ÃܶÈûÓб仯£¬ÄÜ·ñ°ïÎÒ·ÖÎöÒ»ÏÂÔ­Òò£¿...

http://dx.doi.org/10.1103/PhysRevB.79.235123
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5Â¥2013-04-25 14:15:03
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fengnan127

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ÒýÓûØÌû:
5Â¥: Originally posted by wuli8 at 2013-04-25 14:15:03
http://dx.doi.org/10.1103/PhysRevB.79.235123
²»ÊÇËùÓеÄÌåϵ¼Óµç³¡¶¼ÓÐЧ¹ûµÄ¡£ÀýÈçÕâ¸öPRB...

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6Â¥2013-04-26 21:09:05
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