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[ Last edited by aylayl08 on 2009-11-5 at 15:13 ]
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apzhough

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×ÓÐéÎÚÓÐ5388(½ð±Ò+1):лл²ÎÓë
aylayl08(½ð±Ò-1,VIP+0):±¾°æ½ûÖ¹¹àË®£¬¶ÔÓÚÎÞÒâÒ廨ÌûÊջطǷ¨ËùµÃ¡£Ï´Î×¢Òâ 11-5 15:10
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2Â¥2009-09-28 15:17:30
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freer007

ľ³æ (ÕýʽдÊÖ)

¡ï ¡ï
×ÓÐéÎÚÓÐ5388(½ð±Ò+1):лл²ÎÓë
wuchenwf(½ð±Ò+1,VIP+0):лл 11-5 23:04
http://muchong.com/bbs/viewthread.php?tid=1245034
ÎÒÒ²²»Ì«¶®£¬¿´¿´Õâ¸ö»òÐíÓаïÖú¡£
3Â¥2009-10-14 08:42:09
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wangyujia

ľ³æ (ÕýʽдÊÖ)

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
×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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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
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

wuchenwf

ÈÙÓþ°æÖ÷ (Ö°Òµ×÷¼Ò)

¡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
µç³¡¾ÍÊÇÈçÂ¥ÉÏÄÇÑù¼ÓµÄ£¬IDIPOLÊǶÔdipoleµÄÐÞÕý
5Â¥2009-11-05 23:05:07
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wuchenwf

ÈÙÓþ°æÖ÷ (Ö°Òµ×÷¼Ò)

¡ï ¡ï
fegg7502(½ð±Ò+1,VIP+0):thank you very much! 11-8 03:49
×ÓÐéÎÚÓÐ5388(½ð±Ò+1,VIP+0):ÎÒ¿´Á˺ܶàÓÃvasp·¢µÄÎÄÏ×£¬¼Óµç³¡Ê±²»³¬¹ý5V/A£¬°´Äã˵µÄa.u.µÄ»°£¬ÊǺܴóµÄµ¥Î»£¬1au50¶àV/A,²»¿ÉÄÜÕâô´ó 11-8 20:43
  ÎҼǵøúÄã˵¹ý°¡ a.u.
6Â¥2009-11-07 22:56:34
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yuling985

Òø³æ (СÓÐÃûÆø)

¡ï ¡ï
×ÓÐéÎÚÓÐ5388(½ð±Ò+1):лл²ÎÓë
fegg7502(½ð±Ò+1,VIP+0):thank you very much! 11-8 03:49
ºÃÏñÒ²·Ö°æ±¾°É£¬°æ±¾µÍµÄÊDz»Ðеġ£ÎÒÃÇÓõĺÃÏñ4¡£5¾Í²»ÐÐ
7Â¥2009-11-07 23:18:24
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tacaro

ÖÁ×ðľ³æ (ÖªÃû×÷¼Ò)

Сľ³æ´óÄÜèÆïʿѫÕÂ

¡ï
×ÓÐéÎÚÓÐ5388(½ð±Ò+1):лл²ÎÓë
·¹ý

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8Â¥2009-11-08 07:26:07
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

wuchenwf

ÈÙÓþ°æÖ÷ (Ö°Òµ×÷¼Ò)

ÒýÓûØÌû:
Originally posted by wuchenwf at 2009-11-7 22:56:
  ÎҼǵøúÄã˵¹ý°¡ a.u.

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