²é¿´: 5997  |  »Ø¸´: 27

С¿µ¿µ

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
1Â¥: Originally posted by uuv2010 at 2011-05-16 17:16:52:
ÔÚÓÃvasp¼ÆËã Spin-Orbit-Coupling£¬
1. ÆäÖÐOUTCAR¸ø³öµÄ Ðý¹ìñîºÏµÄÐÅÏ¢ÊÇ£º
           
Spin-Orbit-Coupling matrix elements

Ion:    1  E_soc:     -0.0120122
l=   1  
     0.0000000    -0. ...

ÄãµÄÊäÈ뿨ÔõôÉèÖõÄ?ÌùһϿ´¿´,лл
11Â¥2011-09-20 11:20:35
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

uuv2010

ÈÙÓþ°æÖ÷ (Ö°Òµ×÷¼Ò)

ÓÅÐã°æÖ÷

ÒýÓûØÌû:
10Â¥: Originally posted by westlifeok at 2011-09-18 20:55:03:
ÇëÎÊÎÄÏ×Ãû³ÆÊÇɶ£¿Ð»Ð»

ÄúºÃ£¬ÎÄÏ×ÔÚ¶þÂ¥ÒѾ­¸ø³ö¡£Èç¹ûÄúÒ²×öÕâ¸ö·½ÃæµÄ¿ÎÌ⣬»¶Ó­ÌÖÂÛ¡£Ð»Ð»£¡
12Â¥2011-09-20 12:54:06
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

uuv2010

ÈÙÓþ°æÖ÷ (Ö°Òµ×÷¼Ò)

ÓÅÐã°æÖ÷

ÒýÓûØÌû:
11Â¥: Originally posted by С¿µ¿µ at 2011-09-20 11:20:35:
ÄãµÄÊäÈ뿨ÔõôÉèÖõÄ?ÌùһϿ´¿´,лл

ÄúºÃ£¬Ö÷ÒªµÄÊäÈë²ÎÊýÊÇ
  LSORBIT = .TRUE.
  SAXIS =   s_x s_y s_z (quantisation axis for spin)
¾ßÌåÒâÒå¿ÉÒԲο¼ÏÂÃævaspÖ÷Ò³µÄ½éÉÜ£º
http://cms.mpi.univie.ac.at/vasp/vasp/LSORBIT_tag.html

Èç¹ûÄúÒ²×öÕâ·½ÃæµÄ¿ÎÌ⣬»¶Ó­Ö¸µ¼ºÍ²Î¼ÓÌÖÂÛ¡£Ð»Ð»£¡
13Â¥2011-09-20 12:56:23
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

С¿µ¿µ

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

ºÃµÄ лл°¡
14Â¥2011-09-21 13:03:15
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

wujing110

½û³æ (ÕýʽдÊÖ)

±¾ÌûÄÚÈݱ»ÆÁ±Î

15Â¥2011-09-21 21:49:44
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

liuhuimeiwoo

½ð³æ (СÓÐÃûÆø)

ÎÒÔõô¼ÇµÃÊä³öÎļþÖÐÓнá¹ûµÄ°¡
paperÎÒÒªºÃ¶àºÃµÄµÄpaper
16Â¥2011-09-22 11:24:01
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

uuv2010

ÈÙÓþ°æÖ÷ (Ö°Òµ×÷¼Ò)

ÓÅÐã°æÖ÷

ÒýÓûØÌû:
16Â¥: Originally posted by liuhuimeiwoo at 2011-09-22 11:24:01:
ÎÒÔõô¼ÇµÃÊä³öÎļþÖÐÓнá¹ûµÄ°¡

Êǵ쬏ø³öһ¥ËùʾµÄÐÅÏ¢¡¢xyz·½ÏòµÄ·ÖÁ¿£¬µ«ÊDz»ÖªµÀÔõô¾ßÌå·ÖÎö£¬ÇëÄú¶à¶àÖ¸½Ì£¡
17Â¥2011-09-22 12:58:43
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
18Â¥2011-12-05 23:06:41
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

valenhou001

ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)

ÒýÓûØÌû:
8Â¥: Originally posted by bingmou at 2011-05-17 19:42:05:
×Ô¼ºµ±È»²»»áºÍ×Ô¼º×÷ÓÃÁË¡£Ðý¹ìñîºÏ³£Êý£¬ÎÒÒ²²»ÖªµÀ£¬Äã¿ÉÒÔ¿´¿´ÄǸö¹«Ê½µÄ¾ßÌå˵Ã÷

ÇëÎÊÕâÆªÄãÌáµ½ÊÇG. KresseµÄÎÄÏ׵ľßÌåλÖá£Ð»Ð»!

ËüºÃÏñ²»ÊÇÀ´×Ô
"Piotr Bło¨½ski and J¨¹rgen Hafner, Phys. Rev. B 79, 224418 (2009) [12 pages]
Magnetic anisotropy of transition-metal dimers: Density functional calculations"
19Â¥2011-12-06 10:06:24
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

valenhou001

ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)

¡ï
fzx2008(½ð±Ò+1): лл·ÖÏí 2011-12-06 10:56:46
ÕÒµ½ÁË£º
Yoon-Suk Kim, Kerstin Hummer, and Georg Kresse, Accurate band structures and effective masses for InP, InAs, and InSb using hybrid functionals, Phys. Rev. B 80, 035203 (2009)
20Â¥2011-12-06 10:11:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ uuv2010 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 326Çóµ÷¼Á +4 ŵ±´¶û»¯Ñ§½±êéê 2026-03-15 7/350 2026-03-16 17:11 by ŵ±´¶û»¯Ñ§½±êéê
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á +6 ÄÝÄÝninicgb 2026-03-15 9/450 2026-03-16 16:40 by houyaoxu
[¿¼ÑÐ] ÖпÆÔº²ÄÁÏ273Çóµ÷¼Á +4 yzydy 2026-03-15 4/200 2026-03-16 15:59 by Gaodh_82
[¿¼²©] ¶«»ªÀí¹¤´óѧ»¯²Äרҵ26½ì˶ʿ²©Ê¿ÉêÇë +6 zlingli 2026-03-13 6/300 2026-03-15 20:00 by ryzcf
[¿¼²©] »¶Ó­É격ͬѧÁªÏµ +3 ÌìµÀ³êÇÚ2026686 2026-03-10 7/350 2026-03-15 19:03 by ÌìµÀ³êÇÚ2026686
[¿¼ÑÐ] 294Çóµ÷¼Á +3 Zys010410@ 2026-03-13 4/200 2026-03-15 10:59 by zhq0425
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á +3 ºôºô£¿~+123456 2026-03-14 3/150 2026-03-14 16:53 by WTUChen
[¿¼ÑÐ] 211±¾£¬11408Ò»Ö¾Ô¸ÖпÆÔº277·Ö£¬ÔøÔÚÖпÆÔº×Ô¶¯»¯Ëùʵϰ +3 Losir 2026-03-12 3/150 2026-03-14 12:11 by ÈÈÇéɳĮ
[¿¼ÑÐ] 0703Çóµ÷¼Á +7 jtyq001 2026-03-10 7/350 2026-03-14 01:06 by JourneyLucky
[¿¼ÑÐ] 311Çóµ÷¼Á +5 Å£ÈéÌǵĿ¨¿¨ 2026-03-10 5/250 2026-03-14 00:05 by JourneyLucky
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á +9 Copy267 2026-03-10 9/450 2026-03-13 23:45 by userper
[¿¼ÑÐ] 341Çóµ÷¼Á +3 ·¬ÇÑÍ·--- 2026-03-10 3/150 2026-03-13 23:07 by JourneyLucky
[¿¼ÑÐ] ²ÄÁÏ371Çóµ÷¼Á +9 öùÓã? 2026-03-11 11/550 2026-03-13 22:53 by JourneyLucky
[¿¼ÑÐ] £Û0860£Ý321·ÖÇóµ÷¼Á£¬abÇø½Ô¿É +4 ±¦¹óÈÈ 2026-03-13 4/200 2026-03-13 22:01 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 315Çóµ÷¼Á +9 СÑòСÑò_ 2026-03-11 10/500 2026-03-13 21:13 by SXNUÀîÀÏʦ
[¿¼ÑÐ] 0703»¯Ñ§Çóµ÷¼Á +7 Â̶¹ÇÛ²ËÌÀ 2026-03-12 7/350 2026-03-13 17:25 by njzyff
[¿¼ÑÐ] Ò»Ö¾Ô¸211»¯Ñ§Ñ§Ë¶310·ÖÇóµ÷¼Á +8 ŬÁ¦·Ü¶·112 2026-03-12 9/450 2026-03-13 15:41 by JourneyLucky
[¿¼ÑÐ] 328»¯¹¤×¨Ë¶Çóµ÷¼Á +4 ¡££¬¡££¬¡££¬¡£i 2026-03-12 4/200 2026-03-13 14:44 by JourneyLucky
[¿¼ÑÐ] 274Çóµ÷¼Á0856²ÄÁÏ»¯¹¤ +12 z2839474511 2026-03-11 13/650 2026-03-13 10:39 by peike
[¿¼ÑÐ] 085602»¯¹¤Çóµ÷¼Á +7 ¶­boxing 2026-03-10 7/350 2026-03-10 17:07 by BruceLiu320
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û