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wuchenwf
ÈÙÓþ°æÖ÷ (Ö°Òµ×÷¼Ò)
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- ½ð±Ò: 19419.2
- É¢½ð: 10
- ºì»¨: 4
- Ìû×Ó: 3560
- ÔÚÏß: 1035.7Сʱ
- ³æºÅ: 398569
- ×¢²á: 2007-06-10
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔI:½á¹¹¡¢Á¦Ñ§ºÍ
- ¹ÜϽ: µÚÒ»ÐÔÔÀí
9Â¥2009-11-09 21:30:07
freer007
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- 1STÇ¿Ìû: 1
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ½ð±Ò: 2421.7
- ºì»¨: 1
- Ìû×Ó: 676
- ÔÚÏß: 146Сʱ
- ³æºÅ: 707811
- ×¢²á: 2009-02-24
- ÐÔ±ð: GG
- רҵ: °ëµ¼Ìå²ÄÁÏ
¡ï ¡ï
×ÓÐéÎÚÓÐ5388(½ð±Ò+1):лл²ÎÓë
wuchenwf(½ð±Ò+1,VIP+0):лл 11-5 23:04
×ÓÐéÎÚÓÐ5388(½ð±Ò+1):лл²ÎÓë
wuchenwf(½ð±Ò+1,VIP+0):лл 11-5 23:04
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http://muchong.com/bbs/viewthread.php?tid=1245034 ÎÒÒ²²»Ì«¶®£¬¿´¿´Õâ¸ö»òÐíÓаïÖú¡£ |
3Â¥2009-10-14 08:42:09
wangyujia
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- Ìû×Ó: 369
- ÔÚÏß: 79.7Сʱ
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- ×¢²á: 2007-11-14
- ÐÔ±ð: GG
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×ÓÐéÎÚÓÐ5388(½ð±Ò+1):лл²ÎÓë
aylayl08(½ð±Ò+3,VIP+0):лл½âÊÍ 11-5 15:11
aylayl08(½ð±Ò+3,VIP+0):лл½âÊÍ 11-5 15:13
×ÓÐéÎÚÓÐ5388(½ð±Ò+1,VIP+0):eV/AÊÇʲôµ¥Î»£¿Òª¼Ó1v/Aµç³¡ ÈçºÎÉèÖã¿ 11-7 22:53
×ÓÐéÎÚÓÐ5388(½ð±Ò+1):лл²ÎÓë
aylayl08(½ð±Ò+3,VIP+0):лл½âÊÍ 11-5 15:11
aylayl08(½ð±Ò+3,VIP+0):лл½âÊÍ 11-5 15:13
×ÓÐéÎÚÓÐ5388(½ð±Ò+1,VIP+0):eV/AÊÇʲôµ¥Î»£¿Òª¼Ó1v/Aµç³¡ ÈçºÎÉèÖã¿ 11-7 22:53
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ÔÚvaspÂÛ̳ÉÏÕÒµ½µÄһЩ×ÊÁÏ£¬²»ÖªµÀ¶ÔÄãÓÐûÓаïÖú¡£ Vasp 4.6 supports external electric fields, using the line EFIELD = XXX (units eV/A) in the INCAR file. Furthermore the following flags are required LDIPOL=.TRUE. IDIPOL= direction of field the dipole moments are written in OUTCAR (search for the string 'dipolmoment' there) the "min pos 71..." : says that the minimum of a yz-planar average of the charge density (plane normal to the x-direction) is found on on FFT-gridpoint (NGXF) nr.71. |
4Â¥2009-11-05 14:49:26
wuchenwf
ÈÙÓþ°æÖ÷ (Ö°Òµ×÷¼Ò)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ¹ó±ö: 3.433
- ½ð±Ò: 19419.2
- É¢½ð: 10
- ºì»¨: 4
- Ìû×Ó: 3560
- ÔÚÏß: 1035.7Сʱ
- ³æºÅ: 398569
- ×¢²á: 2007-06-10
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔI:½á¹¹¡¢Á¦Ñ§ºÍ
- ¹ÜϽ: µÚÒ»ÐÔÔÀí
¡ï ¡ï ¡ï
×ÓÐéÎÚÓÐ5388(½ð±Ò+1):лл²ÎÓë
aylayl08(½ð±Ò+1,VIP+0):лл½â´ð 11-6 10:01
×ÓÐéÎÚÓÐ5388(½ð±Ò+1,VIP+0):Äǵ糡µÄµ¥Î»ÄØ£¿eV/AÊÇʲôµ¥Î»£¿ 11-7 22:52
×ÓÐéÎÚÓÐ5388(½ð±Ò+1):лл²ÎÓë
aylayl08(½ð±Ò+1,VIP+0):лл½â´ð 11-6 10:01
×ÓÐéÎÚÓÐ5388(½ð±Ò+1,VIP+0):Äǵ糡µÄµ¥Î»ÄØ£¿eV/AÊÇʲôµ¥Î»£¿ 11-7 22:52
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5Â¥2009-11-05 23:05:07














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