Znn3bq.jpeg
²é¿´: 4418  |  »Ø¸´: 28

vasp001

½ð³æ (ÕýʽдÊÖ)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
²¹³äһϣ¬Ð°æµÄVASP 5.2 µÄØÍÊÆ¿âÓиüУ¬Æä´ÎHSE06 ÔÚ´¦Àí¾ßÓÐѲ»Øµç×ÓÌåϵʱ£¬ÓÐʱmagmom ¼ÆË㲻׼ȷ¡£ÈçFe ¡£
Ò»¶¨Òª¾«Í¨MaterialsStudios,VASP.
21Â¥2010-05-16 16:26:06
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

luxia0210

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

GG

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
zzy870720z(½ð±Ò+1):лл 2010-05-16 19:35:15
+UÖµ¼ÆË㣬עÒâÄãµÄ¼Ûµç×ÓÊýÄ¿£¬Ð´MAGMOMʱҪŪÃ÷°×
DZÐİÙÄ꣬ΪÇóÒ»°Ü£¡
22Â¥2010-05-16 16:30:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÈñÀûµÄË鯬

ľ³æ (ÕýʽдÊÖ)

star watcher

¡ï ¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
zzy870720z(½ð±Ò+2):¸Ðл½»Á÷ 2010-05-16 19:41:47
ÌâÍâ»°£ºelkÒ²¿ÉÒÔ´¦Àífµç×Ó£¬ÓõÄÊǵ¥²ÎÊýµÄ+U·½·¨£¬½á¹ûËÆºõ»¹¿ÉÒÔ£¬ËٶȱÈHFºÍGW¿ìµÃ¶à¡£ÓÐÐËȤ¿´ÏÂÕâÆªÎÄÏ×£º[1].        Bultmark, F., et al. , Multipole decomposition of   LDA+U   energy and its application to actinide compounds. Physical Review B, 2009. 80(3): p. 035121.
23Â¥2010-05-16 18:15:25
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

vasp001

½ð³æ (ÕýʽдÊÖ)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÒýÓûØÌû:
Originally posted by luxia0210 at 2010-05-16 16:30:32:
+UÖµ¼ÆË㣬עÒâÄãµÄ¼Ûµç×ÓÊýÄ¿£¬Ð´MAGMOMʱҪŪÃ÷°×

¿ÆÆÕÒ»ÏÂelk ·½·¨°É¡£Ô­Àí¡£
Ò»¶¨Òª¾«Í¨MaterialsStudios,VASP.
24Â¥2010-05-17 21:19:24
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÈñÀûµÄË鯬

ľ³æ (ÕýʽдÊÖ)

star watcher

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÒýÓûØÌû:
Originally posted by vasp001 at 2010-05-17 21:19:24:


¿ÆÆÕÒ»ÏÂelk ·½·¨°É¡£Ô­Àí¡£

Ô­ÀíÎÄÕÂÀï¶¼ÓУ¬Ö÷ÒªÊÇÓÃÁËÆÁ±Î¿âÂØÊÆ°ÑSlater²ÎÊýд³ÉÆÁ±Î¾àÀëµÄº¯Êý£¬ÕâÑù¿ÉÒÔÓÉlambdaµÃµ½¸÷¸öSlater²ÎÊý¡£lambdaÔÚÕâÀïÊÇÒ»¸ö¿É±äµÄ²ÎÊý£¬È¡Öµ×î´óʱ¹ý¶Éµ½ldaÇé¿ö£¬Ò»°ã¼ÆËãÊÇÖ¸¶¨Ò»¸öU£¬Ò²¾ÍÊÇslater²ÎÊýµÄF0£¬ÔÙÓöþ·Ö·¨£¬¸îÏß·¨µÈ·½·¨ÊýÖµÇó½âlambda¡£ÏêϸËã·¨¿ÉÒÔ¿´elkµÄ´úÂ룬findlambdalu.f90ºÍfluykwa.f90.

[ Last edited by ÈñÀûµÄË鯬 on 2010-5-18 at 12:54 ]
25Â¥2010-05-18 12:52:50
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

liuhuimeiwoo

½ð³æ (СÓÐÃûÆø)

Ò»°ãFµç×Ó¶¼Òª¼ÓU¼ÆËãµÄ UµÄ´óСһ°ã¿´Ç°È˵IJο¼ »òÕßÔÚ´Ë»ù´¡ÉϲâÊÔÒ»ÏÂ
paperÎÒÒªºÃ¶àºÃµÄµÄpaper
26Â¥2011-04-28 09:37:40
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

langren24

гæ (СÓÐÃûÆø)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
Originally posted by chimegreen at 2010-04-13 09:51:00:
ÎÒ°´ÕÕÒÔǰÉèÖõÄINCARËãÁ˸öСdimer
¼ÆËãÊÇÕý³£µÄ
¾ÍÊÇoutcarÀïÃæÃ»ÓÐfµç×ÓµÄÐÅÏ¢£¬spd¶¼ÓÐ
Ææ¹Ö£¬ÊÇÄijöÁËÎÊÌâÄØ£¿

ÎÒÏÖÔÚÒ²Åöµ½ºÍÄãÏàͬµÄÎÊÌ⣬Õâ¸ö¼¬ÊÖµÄÎÊÌâ²»ÖªµÀÄã½â¾öÁËûÓУ¿

[ Last edited by langren24 on 2011-4-28 at 14:38 ]
27Â¥2011-04-28 14:26:43
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

crespok

гæ (³õÈëÎÄ̳)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
19916403Â¥: Originally posted by langren24 at 2011-04-28 14:26:43
ÎÒÏÖÔÚÒ²Åöµ½ºÍÄãÏàͬµÄÎÊÌ⣬Õâ¸ö¼¬ÊÖµÄÎÊÌâ²»ÖªµÀÄã½â¾öÁËûÓУ¿
...

ÇëÎÊÄúÊÇ·ñÒѾ­½â¾öÁËÕâ¸öÎÊÌâ¡£Èç¹û½â¾ö£¬ÄܸæËßÎÒ°ì·¨Âð£¿
28Â¥2012-07-27 16:04:41
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

umklapp

Òø³æ (СÓÐÃûÆø)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
19819353Â¥: Originally posted by emily6526 at 2010-05-11 08:59:56
¼ÆËã´ÅÐԵϰ£¬fµç×ÓÒª¿¼ÂÇ×ÔÐý¹ìµÀñîºÏ°É£¬¼ÆËã¿ÉÒԵõ½×ÔÐý´Å¾Ø¡¢¹ìµÀ´Å¾Ø¡£

ͬÒ⣬ ÓÐʱºò SL ñîºÏ Òª±È£«U ÖØÒª
29Â¥2012-07-28 13:40:16
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ chimegreen µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸»ª¹¤085600 331·Ö +5 ÌìÏÂww 2026-04-09 5/250 2026-04-09 16:08 by zhuimr
[¿¼ÑÐ] 085404£¬285·ÖÇóµ÷¼Á +10 Þ±Þ±¿¼ÑÐ 2026-04-07 11/550 2026-04-09 16:06 by may_ÐÂÓî
[¿¼ÑÐ] 278Çóµ÷¼Á +27 ·¶æÃÄÈ 2026-04-07 30/1500 2026-04-09 15:59 by ̽123
[¿¼²©] ²©Ê¿×Ô¼ö +3 ¿É¿ÉСÅÖ 2026-04-08 3/150 2026-04-09 11:25 by juanzi_88
[¿¼ÑÐ] 266Çóµ÷¼Á +5 08µçÆø¹¤³Ì 2026-04-03 5/250 2026-04-08 20:22 by ÄæË®³Ë·ç
[¿¼ÑÐ] 266Çóµ÷¼Á +18 ÑôÑôÍÛÈû 2026-04-07 18/900 2026-04-08 12:59 by grayjzr
[¿¼ÑÐ] 326·Ö£¬Ò»Ö¾Ô¸»¦9£¬ÇóÉúÎïѧµ÷¼Á +4 Áõīī 2026-04-05 4/200 2026-04-08 06:22 by lijunpoly
[¿¼ÑÐ] 313Çóµ÷¼Á +3 Ê®Áùʰ½ 2026-04-07 3/150 2026-04-07 23:20 by lbsjt
[¿¼ÑÐ] 298Çóµ÷¼Á +4 ²ÐºÉÐÂÁø 2026-04-07 4/200 2026-04-07 23:02 by lbsjt
[¿¼ÑÐ] ÉúÎïµ÷¼Á +5 ³È×Ó³È×Ó³È×Ó°¡ 2026-04-05 9/450 2026-04-07 15:31 by Éϰ¶¿ì¿ì
[¿¼ÑÐ] 327¿¼Ñе÷¼ÁÍÆ¼ö +6 ÎØÎØÎØÎØÄØ 2026-04-06 6/300 2026-04-06 21:39 by à£à£à£0119
[¿¼ÑÐ] ¿¼ÑÐÉúÎïѧ¿¼AÇø211£¬³õÊÔ322£¬¿ÆÄ¿Éú»¯ºÍÉúÎï×ۺϣ¬Çóµ÷¼Á +6 ¡£¡£¡£54 2026-04-03 6/300 2026-04-05 14:54 by JOKER0401
[¿¼ÑÐ] 0854Çóµ÷¼Á +4 assdll 2026-04-04 4/200 2026-04-05 09:44 by zhq0425
[¿¼ÑÐ] Ò»Ö¾Ô¸Ö£´ó0705Çóµ÷¼Á +3 éÙʮһ 2026-04-02 4/200 2026-04-05 00:05 by chongya
[¿¼ÑÐ] 283Çóµ÷¼Á +4 mcbbc 2026-04-03 5/250 2026-04-04 20:51 by imissbao
[¿¼ÑÐ] 321Çóµ÷¼Á +6 ÈÏÕæÇóÉÏѧ 2026-04-03 6/300 2026-04-04 19:51 by dongzh2009
[¿¼ÑÐ] 11408 Ò»Ö¾Ô¸Î÷µç£¬277·ÖÇóµ÷¼Á +4 zhouzhen654 2026-04-03 4/200 2026-04-04 18:10 by Öí»á·É
[¿¼ÑÐ] 319Çóµ÷¼Á +4 ÐÇÐDz»Õ£ÑÛà¶ 2026-04-03 4/200 2026-04-04 16:25 by ÖзÉÔº¿Õ¹ÜѧԺÑ
[¿¼ÑÐ] 348·Ö»·¾³¹¤³Ì¡¤µ÷¼Á +10 ÎâÑå׿24k 2026-04-03 11/550 2026-04-04 14:19 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 0705Àíѧ294Çóµ÷¼Á +3 ³É¹û³É¹ûcg5 2026-04-03 3/150 2026-04-03 14:04 by simons1972
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û