Znn3bq.jpeg
²é¿´: 849  |  »Ø¸´: 3
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

egg19900805

гæ (СÓÐÃûÆø)

[ÇóÖú] ÓÃMSŒ¢BiFeO3¾§¸ñλÖÃÞD³ÉPOSCAR

??¦Ë???????????????E?§­]?????e???e??
???????????E?N??????????????  ?x?x
1.Journal of Magnetism and Magnetic Materials  160 (1996) 384-385 ???Y??
http://bcs.duapp.com/emuchnet/20 ... _1371695455_781.png
2.????Wyckoff Positions ???BFO?????¦Ë??
http://bcs.duapp.com/emuchnet/20 ... _1371695584_315.png
http://bcs.duapp.com/emuchnet/20 ... _1371695653_474.png
3.??MS????BFO??a c?S???????????
http://bcs.duapp.com/emuchnet/20 ... _1371695827_502.png
http://bcs.duapp.com/emuchnet/20 ... _1371696031_740.png
http://bcs.duapp.com/emuchnet/20 ... _1371696041_533.png
http://bcs.duapp.com/emuchnet/20 ... _1371696059_367.png
4.???n??Export ?? .cif ?? vesta ???_ ??Export ??.vasp
http://bcs.duapp.com/emuchnet/20 ... _1371696244_966.png

???}????Y???????H?Y???????? ????????e???e
http://bcs.duapp.com/emuchnet/20 ... _1371696384_746.png

?X?.PNG


-1
?X?.PNG


-2
?X?.PNG


-3
?X?.PNG


-4
1.PNG


-5
2.PNG


-6
3.PNG


-7
1.PNG


-8
image2.png
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

egg19900805

гæ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by emilyoyang at 2013-06-20 13:10:07
¿ÉÄÜÊÇms¹¹½¨½á¹¹µÄÎÊÌâ¡£ÄãÓÃvestaµ¼³öÀ´cifÎļþ£¬È»ºóÔٷŵ½msÖÐÏÔʾ¿´Ò»Ï¡£
bifeO3µÄ½á¹¹Ö±½Ó´ÓicsdÖе¼³öÀ´²»ÐÐô  ¸ÉÂï·ÇÒªÂé·³ÓÃms¹¹½¨ÄØ

ÒòžéĿǰ߀ÔÚ¾šÁ•VASP  ?ÄǰÈ˵ÄpaperÖØÐ®a³ö¿´ÊDz»ÊÇ·ûºÏ

ËùÒÔ±ØíšÖ±½ÓÈ¡µÃÕ“ÎÄÉϵĽY˜‹

¶ø²»?ÄicsdÖе¼³öÀ´
4Â¥2013-06-20 14:28:36
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 4 ¸ö»Ø´ð

emilyoyang

ľ³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
liliangfang: ½ð±Ò+1, лл½»Á÷ 2013-06-23 15:21:02
¿ÉÄÜÊÇms¹¹½¨½á¹¹µÄÎÊÌâ¡£ÄãÓÃvestaµ¼³öÀ´cifÎļþ£¬È»ºóÔٷŵ½msÖÐÏÔʾ¿´Ò»Ï¡£
bifeO3µÄ½á¹¹Ö±½Ó´ÓicsdÖе¼³öÀ´²»ÐÐô  ¸ÉÂï·ÇÒªÂé·³ÓÃms¹¹½¨ÄØ
2Â¥2013-06-20 13:10:07
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

egg19900805

гæ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by emilyoyang at 2013-06-20 13:10:07
¿ÉÄÜÊÇms¹¹½¨½á¹¹µÄÎÊÌâ¡£ÄãÓÃvestaµ¼³öÀ´cifÎļþ£¬È»ºóÔٷŵ½msÖÐÏÔʾ¿´Ò»Ï¡£
bifeO3µÄ½á¹¹Ö±½Ó´ÓicsdÖе¼³öÀ´²»ÐÐô  ¸ÉÂï·ÇÒªÂé·³ÓÃms¹¹½¨ÄØ

ÎÒÏëÒªµÃµ½POSCAR µ«ÊDz»•þËã¾§¸ñʸÁ¿

߀ÊÇÕˆ†–ÄãÖªµÀÔõüNÀûÓþ§¸ñλÖúÍa cÝS

ÊÖ„ÓËã³öÄÇÈý‚€¾§¸ñʸÁ¿†á

¸ÐÖx!!!!
3Â¥2013-06-20 14:19:48
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸»ªÖÐũ΢ÉúÎ288·Ö£¬ÈýÄêʵÑé¾­Àú +7 ´úfish 2026-04-09 7/350 2026-04-09 17:50 by lijunpoly
[¿¼ÑÐ] 268·Ö085602»¯Ñ§¹¤³Ìµ÷¼Á +16 ÔÂÕÕ»¨ÁÖ¡£ 2026-04-09 16/800 2026-04-09 17:49 by hxwb99
[¿¼ÑÐ] 291·Öµ÷¼Á +3 Éϰ¶Ð¡Ó¨¼ÓÓÍ 2026-04-09 4/200 2026-04-09 17:28 by 1753564080
[¿¼ÑÐ] 278Çóµ÷¼Á +27 ·¶æÃÄÈ 2026-04-07 30/1500 2026-04-09 15:59 by ̽123
[¿¼ÑÐ] µ÷¼Á +3 ÇàµÆ²»¸º 2026-04-09 3/150 2026-04-09 15:28 by ÊÍ·ÅÌìÐÔ
[¿¼ÑÐ] 293·ÖÇóµ÷¼Á£¬ÍâÓïΪ¶íÓï +7 ¼ÓÒ»Ò»¾Å 2026-04-07 10/500 2026-04-08 20:14 by yutian743
[¿¼ÑÐ] »·¾³×¨Ë¶µ÷¼Á +15 »á˵»°µÄÖâ×Ó 2026-04-06 15/750 2026-04-08 18:56 by »·»¯²Ä-СÉú
[¿¼ÑÐ] 285Çóµ÷¼Á +7 ¶ñ·¨´ó¶þµÄÆøÎ¶ß 2026-04-05 10/500 2026-04-08 14:34 by zhq0425
[¿¼ÑÐ] Çóµ÷¼Á Ò»Ö¾Ô¸Î÷ÄϽ»Í¨´óѧ085701»·¾³¹¤³Ì 282·Ö +15 ¶à¶à°®³Ôºº±¤ 2026-04-04 16/800 2026-04-08 11:39 by i_cooler
[¿¼ÑÐ] 22408 266Çóµ÷¼Á +11 masss11222 2026-04-07 14/700 2026-04-08 11:06 by yulian1987
[¿¼ÑÐ] 313Çóµ÷¼Á +3 Ê®Áùʰ½ 2026-04-07 3/150 2026-04-07 23:20 by lbsjt
[¿¼ÑÐ] 363Çóµ÷¼Á +9 zh096 2026-04-04 9/450 2026-04-07 21:51 by 418490947
[¿¼ÑÐ] 334·Ö»úеר˶Çóµ÷¼Á +3 µ°»¨×ϲËÌÀ 2026-04-03 3/150 2026-04-07 14:49 by åÐÒ£cocoa
[¿¼ÑÐ] 301Çóµ÷¼Á +3 XYPLR 2026-04-05 4/200 2026-04-05 19:07 by XYPLR
[¿¼ÑÐ] Ò»Ö¾Ô¸±±½»´ó²ÄÁϹ¤³Ì×Ü·Ö358Çóµ÷¼Á +6 cs0106 2026-04-05 6/300 2026-04-05 16:34 by imissbao
[¿¼ÑÐ] Ò»Ö¾Ô¸ÉϺ£º£Ñó´óѧ083200ʳƷѧ˶£¬Çóµ÷¼Á£¬½ÓÊÜÆäËûרҵ083200 +4 whatÕÅ 2026-04-04 5/250 2026-04-05 14:07 by chw1980_0
[¿¼ÑÐ] 295Çóµ÷¼Á +4 AÄãºÃÑо¿Éú 2026-04-04 5/250 2026-04-04 22:46 by yu221
[¿¼ÑÐ] 306Çóµ÷¼Á +3 hybÉÏÃû¹¤ 2026-04-02 3/150 2026-04-04 18:12 by ÈÈÇéɳĮ
[¿¼ÑÐ] Çóµ÷¼Á£¬Ò»Ö¾Ô¸ÄϾ©º½¿Õº½Ìì´óѧ £¬080500²ÄÁÏ¿ÆÑ§Ó빤³Ìѧ˶ +10 @taotao 2026-04-03 10/500 2026-04-04 09:01 by T¿É¿ÉÎ÷ÀïT
[¿¼ÑÐ] ¿¼Ñе÷¼Á +3 Draa 2026-04-03 3/150 2026-04-03 17:37 by hgwz7468
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û