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joyce79928

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ǰÌïÇì´Î: ½ð±Ò+5, ¡ï¡ï¡ï¡ï¡ï×î¼Ñ´ð°¸ 2014-09-28 08:25:37
MD.VariableCell                F
MD.ConstantVolume              T
2Â¥2014-09-26 13:11:58
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ÒýÓûØÌû:
2Â¥: Originally posted by joyce79928 at 2014-09-26 13:11:58
MD.VariableCell                F
MD.ConstantVolume              T

ǰ±²£¬ÎÒÊÇËãDFT£¬²»ÊÇËã·Ö×Ó¶¯Á¦Ñ§£¬ÕâÁ©²ÎÊýÔõô¹Ö¹ÖµÄ£¬´øÁËMD.Õâ¸öǰ׺£¿
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3Â¥2014-09-28 08:25:31
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joyce79928

Í­³æ (СÓÐÃûÆø)

These are the options common to all relaxation methods. If the Zmatrix input option is in e ect
(see Sec. 6.4.2) the Zmatrix-speci c options take precedence. The 'MD' pre x is misleading but
kept for historical reasons.
ÕâÊÇÊÖ²áÀïÃæµÄ˵·¨
4Â¥2014-09-30 16:45:23
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ǰÌïÇì´Î

ľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
4Â¥: Originally posted by joyce79928 at 2014-09-30 16:45:23
These are the options common to all relaxation methods. If the Zmatrix input option is in e ect
(see Sec. 6.4.2) the Zmatrix-speci c options take precedence. The 'MD' pre x is misleading but
kept f ...

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