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kgdu
½ð³æ (ÕýʽдÊÖ)
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ½ð±Ò: 475.4
- ºì»¨: 8
- Ìû×Ó: 396
- ÔÚÏß: 295.8Сʱ
- ³æºÅ: 893805
- ×¢²á: 2009-11-04
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
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mxiangying(½ð±Ò+5): 2011-08-21 09:41:08
youzhizhe(½ð±Ò+2): лл½»Á÷¡£ 2011-08-22 20:41:28
mxiangying(½ð±Ò+5): 2011-08-21 09:41:08
youzhizhe(½ð±Ò+2): лл½»Á÷¡£ 2011-08-22 20:41:28
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LNONCOLLINEAR=.TRUE. RWIGS = LAMBDA = 10 MAGMOM= 216*0 4 0 0 .... -4 0 0 Ç°ÃæµÄÖØ¸´24´Î£¬ºóÃæµÄÒ»Ñù£¬RWIGS ÉèÿÀàÔ×ӵġ£ ÄãÕâ¸öÓù²ÏßµÄËã¾ÍÐУ¬¼ÆËãÁ¿»áСºÃ¶à¡£ |
2Â¥2011-08-21 09:05:34
mxiangying
гæ (СÓÐÃûÆø)
- Ó¦Öú: 4 (Ó×¶ùÔ°)
- ½ð±Ò: 9
- É¢½ð: 330
- ºì»¨: 6
- Ìû×Ó: 94
- ÔÚÏß: 316.3Сʱ
- ³æºÅ: 581699
- ×¢²á: 2008-07-18
- ÐÔ±ð: GG
- רҵ: ½ðÊô²ÄÁϵÄÁ¦Ñ§ÐÐΪ
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ллÄ㣬ÎÒÖªµÀÁË¡£ µ«ÊÇ»¹ÓиöÎÊÌ⣬ÎÒ²éѯÁËVASPÖ§³ÖÂÛ̳£¨http://cms.mpi.univie.ac.at/vasp-forum/news.php£©£¬ÉÏÃæËµMAGMOMÑ¡ÏîÖ»Ö§³Ö255¸ö×Ö·ûÒÔϵÄÊäÈ룬Èç¹ûÐèÒª³¤×Ö·ûÊäÈ룬»¹ÐèÐÞ¸ÄÆäÖÐÒ»¸öÎļþºóÖØÐ±àÒëVASP.lib¿â¡£ÎÒ²»ÏëÕâôÂé·³£¬ÓÐûÓиü¼òµ¥µã¶ùµÄÉèÖ÷½·¨£¿ |

3Â¥2011-08-21 09:48:15
kgdu
½ð³æ (ÕýʽдÊÖ)
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ½ð±Ò: 475.4
- ºì»¨: 8
- Ìû×Ó: 396
- ÔÚÏß: 295.8Сʱ
- ³æºÅ: 893805
- ×¢²á: 2009-11-04
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
4Â¥2011-08-21 19:07:30
mxiangying
гæ (СÓÐÃûÆø)
- Ó¦Öú: 4 (Ó×¶ùÔ°)
- ½ð±Ò: 9
- É¢½ð: 330
- ºì»¨: 6
- Ìû×Ó: 94
- ÔÚÏß: 316.3Сʱ
- ³æºÅ: 581699
- ×¢²á: 2008-07-18
- ÐÔ±ð: GG
- רҵ: ½ðÊô²ÄÁϵÄÁ¦Ñ§ÐÐΪ

5Â¥2011-08-21 19:39:46
mxiangying
гæ (СÓÐÃûÆø)
- Ó¦Öú: 4 (Ó×¶ùÔ°)
- ½ð±Ò: 9
- É¢½ð: 330
- ºì»¨: 6
- Ìû×Ó: 94
- ÔÚÏß: 316.3Сʱ
- ³æºÅ: 581699
- ×¢²á: 2008-07-18
- ÐÔ±ð: GG
- רҵ: ½ðÊô²ÄÁϵÄÁ¦Ñ§ÐÐΪ

6Â¥2011-08-22 12:52:38
mxiangying
гæ (СÓÐÃûÆø)
- Ó¦Öú: 4 (Ó×¶ùÔ°)
- ½ð±Ò: 9
- É¢½ð: 330
- ºì»¨: 6
- Ìû×Ó: 94
- ÔÚÏß: 316.3Сʱ
- ³æºÅ: 581699
- ×¢²á: 2008-07-18
- ÐÔ±ð: GG
- רҵ: ½ðÊô²ÄÁϵÄÁ¦Ñ§ÐÐΪ
|
MAGMOM = 216*0 8 0 0 8 0 0 8 0 0 8 0 0 8 0 0 8 0 0 8 0 0 8 0 0 8 0 0 8 0 0 8 0 0 8 0 0 8 0 0 8 0 0 8 0 0 8 0 0 8 0 0 8 0 0 8 0 0 8 0 0 8 0 0 8 0 0 8 0 0 8 0 0 -8 0 0 -8 0 0 -8 0 0 -8 0 0 -8 0 0 -8 0 0 -8 0 0 -8 0 0 -8 0 0 -8 0 0 -8 0 0 -8 0 0 -8 0 0 -8 0 0 -8 0 0 -8 0 0 -8 0 0 -8 0 0 -8 0 0 -8 0 0 -8 0 0 -8 0 0 -8 0 0 -8 0 0 |

7Â¥2011-08-22 12:54:18
mxiangying
гæ (СÓÐÃûÆø)
- Ó¦Öú: 4 (Ó×¶ùÔ°)
- ½ð±Ò: 9
- É¢½ð: 330
- ºì»¨: 6
- Ìû×Ó: 94
- ÔÚÏß: 316.3Сʱ
- ³æºÅ: 581699
- ×¢²á: 2008-07-18
- ÐÔ±ð: GG
- רҵ: ½ðÊô²ÄÁϵÄÁ¦Ñ§ÐÐΪ

8Â¥2011-08-22 13:12:22
mxiangying
гæ (СÓÐÃûÆø)
- Ó¦Öú: 4 (Ó×¶ùÔ°)
- ½ð±Ò: 9
- É¢½ð: 330
- ºì»¨: 6
- Ìû×Ó: 94
- ÔÚÏß: 316.3Сʱ
- ³æºÅ: 581699
- ×¢²á: 2008-07-18
- ÐÔ±ð: GG
- רҵ: ½ðÊô²ÄÁϵÄÁ¦Ñ§ÐÐΪ

9Â¥2011-08-22 13:40:25
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