±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 2293  |  »Ø¸´: 5
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

xingjigaoda

Í­³æ (СÓÐÃûÆø)

[ÇóÖú] VASP½á¹¹ÓÅ»¯£¬·Ö²½ÓÅ»¯ºÍÒ»´ÎÐÍÓÅ»¯µÄÇø±ð£¿ ÒÑÓÐ2È˲ÎÓë

±¾ÈËг棬ÓÐÒ»¸öÎÊÌâÒ»Ö±ÎÞ·¨½â¾ö£º¼ÆËãÒ»¸öCe4O8µÄ³¬°û£¬ÐèҪȫ½á¹¹³ÚÔ¥£¨ÔÊÐí¾§¸ñ³£ÊýºÍÄÚ²¿Ô­×ÓλÖõĸı䣩£¬ÔÚ½øÐнṹÓÅ»¯µÄʱºò£¬·Ö²½ÓÅ»¯ÒªÏȽøÐÐÒ»´Î³ÚÔ¥¼ÆË㣬ÎÒµÄISIF¸ÃÉèÖöàÉÙ£¿µÚ¶þ´ÎÓÅ»¯¼ÆËãµÄʱºòISIFÓÖ¸ÃÈçºÎÉèÖã¿ÕâÁ½´ÎÓÅ»¯ÓÐÊ²Ã´Çø±ðô£¿Áí£¬·Ö²½ÓÅ»¯±ÈÒ»´ÎÐÍÓÅ»¯µÄÓÅÊÆÔÚÄÄÀÇë¸÷λ³æÓѰï°ïÎÒ£¬Ð»Ð»ÄØ
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

whyaquarius

гæ (³õÈëÎÄ̳)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
xingjigaoda: ½ð±Ò+10, ¡ï¡ï¡ïºÜÓаïÖú 2014-11-28 19:25:51
Ô­ÔòÉÏ˵·Ö²½ÓÅ»¯¸úÒ»´Î³ÉÐÍÖ®¼äûÓÐÇø±ð£¬µ«ÊÇʵ¼ÊÉÏ¿ÉÄÜ»áÓвîÒì¡£

·Ö²¼ÓÅ»¯£¨ÊÕÁ²¾«¶ÈÖð½¥Ìá¸ß£¬Àë×Ó²½ÊýÖð½¥Ôö¼Ó£©¿ÉÒÔÓÐЧ±ÜÃâ½á¹¹ÓÅ»¯¹ý³ÌÖÐÔ­×ÓÅܵ½Ò»Ð©ºÜ¹îÒìµÄλÖÃÉÏ¡£ÓÈÆäÊÇÊÜÁ¦±È½ÏÈõ£¨±ÈÈç˵Îü¸½£©£¬»òÕß³õʼ½á¹¹¸úÎȶ¨½á¹¹Ïà²î±È½Ï´óµÄʱºò¸üÓ¦¸Ã½÷É÷ʹÓÃÒ»²½µ½Î»µÄÓÅ»¯²ßÂÔ¡£
5Â¥2014-09-27 16:35:57
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 6 ¸ö»Ø´ð

Jiansh

гæ (СÓÐÃûÆø)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
¸öÈ˾õµÃ ISIF=2£¬Ò»°ãÊÇÕâÑùµÄ£¬Èç¹ûÔÚ½¨Ä£Ö®Ç°ÓÅ»¯Ô­°ü£¬¿ÉÒÔÉèISIF=3£¬µ«Êǽ¨³¬±¡ºó£¬ÉèÖÃISIF=2
·Ö²¼ÓÅ»¯½»Ò»²½ÓÅ»¯Ê±¼äÉÙЩ
Õâ¸öÂÛ̳ÖÐÓн̳Ì
ÕâЩ¶¼ÊÇÎÒµÄÉèÖã¬Ò»°ãÕâôÓ㺣¨½ö½ö´ú±í¸öÈ˹۵㣩
×î³õ¿ÉÒÔÉèÖà EDIFF=1E-4  EDIFFG=-5E-2 ISPIN=1   
È»ºó°ÑCONRCAR¸ÄΪPOSCAR ÉèÖÃEDIFF=1E-4 EDIFFG -2E-2 ISPIN=2
ѧÊõÍø£¨www.scholarnet.cn£©±ü³ÐÒ»ÇÐΪѧÊõ¹¤×÷ÕßµÄÀíÄ½ß³ÏΪ¹ã´ó¿ÆÑй¤×÷ÕßÌṩÓÅÖʵķþÎñ¡£
2Â¥2014-09-25 12:33:24
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

xingjigaoda

Í­³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by Jiansh at 2014-09-25 12:33:24
¸öÈ˾õµÃ ISIF=2£¬Ò»°ãÊÇÕâÑùµÄ£¬Èç¹ûÔÚ½¨Ä£Ö®Ç°ÓÅ»¯Ô­°ü£¬¿ÉÒÔÉèISIF=3£¬µ«Êǽ¨³¬±¡ºó£¬ÉèÖÃISIF=2
·Ö²¼ÓÅ»¯½»Ò»²½ÓÅ»¯Ê±¼äÉÙЩ
Õâ¸öÂÛ̳ÖÐÓн̳Ì
ÕâЩ¶¼ÊÇÎÒµÄÉèÖã¬Ò»°ãÕâôÓ㺣¨½ö½ö´ú±í¸öÈ˹۵㣩
×î³õ¿É ...

Èç¹ûÊǽṹÓÅ»¯ÉèÖóÉISIF=2£¬ÄǾ§¸ñ³£ÊýºÍλÖû¹»á±ä»¯Ã´£¿£¨ÒªÇ󾧸ñ³£ÊýºÍÄÚ²¿Ô­×ÓλÖøı䣩£¬ÎҽṹÓÅ»¯Ê±ºòÉèÖÃISIF=3£¬È»ºó½øÐо²Ì¬¼ÆËãISIF=2£¬ÕâÑù¿ÉÒÔô£¿
3Â¥2014-09-25 13:41:58
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Jiansh

гæ (СÓÐÃûÆø)

ÒýÓûØÌû:
3Â¥: Originally posted by xingjigaoda at 2014-09-25 13:41:58
Èç¹ûÊǽṹÓÅ»¯ÉèÖóÉISIF=2£¬ÄǾ§¸ñ³£ÊýºÍλÖû¹»á±ä»¯Ã´£¿£¨ÒªÇ󾧸ñ³£ÊýºÍÄÚ²¿Ô­×ÓλÖøı䣩£¬ÎҽṹÓÅ»¯Ê±ºòÉèÖÃISIF=3£¬È»ºó½øÐо²Ì¬¼ÆËãISIF=2£¬ÕâÑù¿ÉÒÔô£¿...

ÎÒÊÇÕâÑùµÄ¹Ûµã£¬ÓÅ»¯Ô­°üʱºò¿ÉÒÔÓÅ»¯¾§¸ñ³£Êý
ÔÚÉè¼Æ³¬°û»òÕßÇÐÃæºó ¾Í±£³Ö¾§¸ñ³£Êý²»±äÀ² Ö»ÓÅ»¯Ô­×ÓλÖÃ
ÎÒÒ²²Å³õѧ²»¾Ã....ÕâôÀí½âµÄ
ѧÊõÍø£¨www.scholarnet.cn£©±ü³ÐÒ»ÇÐΪѧÊõ¹¤×÷ÕßµÄÀíÄ½ß³ÏΪ¹ã´ó¿ÆÑй¤×÷ÕßÌṩÓÅÖʵķþÎñ¡£
4Â¥2014-09-25 15:46:39
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 283Çóµ÷¼Á +11 A child 2026-04-04 11/550 2026-04-06 23:05 by chenzhimin
[¿¼ÑÐ] 297·Ö083200ÇóÖú +9 aekx 2026-04-05 9/450 2026-04-06 20:57 by flysky1234
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©2£¬²ÄÁÏÓ뻯¹¤308Çóµ÷¼Á +13 ÐܶþÏëÉϰ¶ 2026-04-04 14/700 2026-04-06 19:42 by guanxin1001
[¿¼ÑÐ] Ò»Ö¾Ô¸Ö£ÖÝ´óѧ²ÄÁÏÓ뻯¹¤085600£¬Çóµ÷¼Á +27 ³ÔµÄ²»ÉÙ 2026-04-02 27/1350 2026-04-06 15:19 by 495374996
[Óлú½»Á÷] 3-äåßÁà¤-4-¼×È©ºÏ³É 10+3 Ñ©¸âÒ²Äܱ¬Õ¨ 2026-03-31 9/450 2026-04-06 00:24 by nBuï®
[¿¼ÑÐ] Ò»Ö¾Ô¸9²ÄÁÏѧ˶297ÒѹýÁù¼¶Çóµ÷¼ÁÍÆ¼ö +11 adaie 2026-04-04 12/600 2026-04-05 19:04 by À¶ÔÆË¼Óê
[¿¼ÑÐ] Ò»Ö¾Ô¸Çà¿Æ085500£¬³õÊÔ295·Ö£¬¹«¹²¿Î213·Ö +3 Óöµ½µÄÈËÔ¸Íû¶¼Ä 2026-04-05 3/150 2026-04-05 18:45 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 328·Öµ÷¼Á +6 ÃÅmen 2026-04-04 6/300 2026-04-05 13:40 by imissbao
[¿¼ÑÐ] ²ÄÁÏ»¯¹¤306·ÖÕÒºÏÊʵ÷¼Á +14 ²×º£ÇáÖÛe 2026-04-04 14/700 2026-04-05 09:53 by ÖìÔÆ»¢202
[¿¼ÑÐ] 323Çóµ÷¼Á +8 Àî¼ÑÀÖ1 2026-04-04 8/400 2026-04-04 22:26 by hemengdong
[¿¼ÑÐ] ×Ü·Ö328ÉúÎïÓëÒ½Ò©¿¼ÊýѧÇóµ÷¼Á +7 aaadim 2026-04-02 9/450 2026-04-03 22:53 by syh9288
[¿¼ÑÐ] Çóµ÷¼Á +4 ѹÁ¦??´ó 2026-04-03 4/200 2026-04-03 21:36 by à£à£à£0119
[¿¼ÑÐ] ÊÞÒ½µ÷¼Á +3 wh119216 2026-04-02 3/150 2026-04-03 19:34 by zrongyan
[¿¼ÑÐ] 338Çóµ÷¼Á +7 êɹ¦? 2026-04-03 7/350 2026-04-03 16:46 by wxiongid
[¿¼ÑÐ] 366Çóµ÷¼Á +7 sbdnd 2026-04-03 7/350 2026-04-03 12:40 by cymywx
[¿¼ÑÐ] µ÷¼Á +7 ìíáº. 2026-04-02 7/350 2026-04-03 09:11 by »¨ß»¹Ç·600
[¿¼ÑÐ] 326Çóµ÷¼Á +10 áÌáÌ×Ð 2026-04-02 10/500 2026-04-03 09:08 by ÅÁ¶ûÂíÀ­ÌØ
[¿¼ÑÐ] 0805Çóµ÷¼Á +8 ÊÇË®·Ö 2026-03-31 8/400 2026-04-02 10:46 by guanxin1001
[¿¼ÑÐ] 0710ÉúÎïѧ£¬325Çóµ÷¼Á +3 mkkkkkl 2026-04-01 3/150 2026-04-02 09:48 by Jaylen.
[¿¼ÑÐ] ÉúÎïѧ327£¬Çóµ÷¼Á +5 ÊéÉϵÄ÷×Ó 2026-04-01 6/300 2026-04-02 06:47 by ilovexiaobin
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û