Znn3bq.jpeg
²é¿´: 119  |  »Ø¸´: 1
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£

СС½ðÊéÇ©

[½»Á÷] ¡¾ÇóÖú¡¿:MS´íÎó

ÇóÖú: лл!

´íÎóÌáʾ:

Error in geom_get_forces - electronic_minimisation of current_cell failed

[ Last edited by freshgirl on 2009-6-25 at 15:38 ]
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

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

css8170

ľ³æ (ÕýʽдÊÖ)

¡ï ¡ï ¡ï
wuchenwf(½ð±Ò+3,VIP+0):Ê®·Ö¸Ðл
Õâ¸öÐÅÏ¢±íÃ÷µü´ú´ÎÊý´ïµ½É趨ֵºó£¨Ä¬ÈÏΪ100£©£¬×ÔÇ¢³¡¼ÆËãÈÔδ´ïµ½ÊÕÁ²£¬¿ÉÒÔͨ¹ýÉèÖøü´óµÄMax. SCF cyclesÖµÀ´½á¹û¸ÃÎÊÌâ¡£
ÉèÖ÷¾¶£ºCASTEP Calculation>Electronic>More>SCF>Max. SCF cycles.
2Â¥2009-01-03 23:27:22
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ СС½ðÊéÇ© µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼²©] É격/¿¼²© +3 ¿ÐÃæ°üµÄСÊ鳿 2026-04-17 4/200 2026-04-17 23:54 by ÑôÑôÑô^_^
[¿¼ÑÐ] »¯¹¤Ñ§Ë¶294·Ö£¬Çóµ¼Ê¦ÊÕÁô +33 yzyzx 2026-04-12 37/1850 2026-04-17 23:00 by wunaiy88
[¿¼ÑÐ] 295·ÖÇóµ÷¼Á +5 ?ÒªÉϰ¶? 2026-04-17 5/250 2026-04-17 16:51 by fenglj492
[¿¼ÑÐ] 322Çóµ÷¼Á +6 tekuzu 2026-04-17 6/300 2026-04-17 13:48 by Espannnnnol
[¿¼ÑÐ] 279Çóµ÷¼Á +13 ÕÅ·¬ÇѲ»³´µ° 2026-04-11 13/650 2026-04-17 10:38 by cuisz
[¿¼ÑÐ] 291Çóµ÷¼Á +9 ¹ØÒä±±. 2026-04-14 9/450 2026-04-16 22:49 by cfdbai
[¿¼ÑÐ] 22ר˶Çóµ÷¼Á +10 haoyunÉϰ¶ 2026-04-11 12/600 2026-04-16 22:21 by Öí»á·É
[¿¼ÑÐ] 307ÖÐÒ½¿¼Ñе÷¼Á +6 ÓÚÒÔ²ÉÞÀ 2026-04-14 6/300 2026-04-16 16:20 by qingfeng258
[¿¼ÑÐ] 297£¬¹¤¿Æµ÷¼Á?ºÓÄÏũҵ´óѧ±¾¿Æ +14 ºÓÄÏũҵ´óѧ-ÄÜ 2026-04-14 14/700 2026-04-16 14:41 by dingyanbo1
[¿¼ÑÐ] 26ҩѧר˶105500Çóµ÷¼Á +6 à¶¹þ¼ÓÓÍ 2026-04-13 7/350 2026-04-16 14:31 by zhouxiaoyu
[¿¼²©] É격×Ô¼ö +3 LinxiaÁÖÏÄ 2026-04-13 3/150 2026-04-16 12:55 by Ä«ºÉ֮¶
[¿¼ÑÐ] 322Çóµ÷¼Á +8 123°²¿µ 2026-04-12 15/750 2026-04-16 11:07 by Espannnnnol
[¿¼ÑÐ] 327Çóµ÷¼Á +26 Xxjc1107. 2026-04-13 29/1450 2026-04-16 10:52 by Espannnnnol
[¿¼ÑÐ] ҩѧÇóµ÷¼Á +14 à¶¹þ¼ÓÓÍ 2026-04-14 16/800 2026-04-16 10:15 by beilsong20
[½Ìʦ֮¼Ò] ת³¤Æ¸ÁË +7 ¼òµ¥»¯xn 2026-04-13 7/350 2026-04-14 14:50 by xindong
[¿¼ÑÐ] Ò»Ö¾Ô¸ÖÐÄÏ´óѧ 0855 »úе 286 Çóµ÷¼Á +11 ²»»á³ÔÈâ 2026-04-12 11/550 2026-04-13 21:59 by bljnqdcc
[¿¼ÑÐ] 293Çóµ÷¼Á +16 ÎÒ°®¸ßÊý¸ßÊý°®Î 2026-04-12 18/900 2026-04-13 21:47 by ѧԱJpLReM
[¿¼ÑÐ] 302Çóµ÷¼Á +10 Ò×£¡? 2026-04-13 10/500 2026-04-13 19:04 by lbsjt
[¿¼ÑÐ] 0831Ò»ÂÖµ÷¼Áʧ°ÜÇóÖú +10 СÐÜî£î£_s 2026-04-11 10/500 2026-04-12 22:43 by ³¤¹­°Á
[¿¼ÑÐ] 291Çóµ÷¼Á +8 ¹ØÒä±±. 2026-04-11 8/400 2026-04-12 09:32 by ÄæË®³Ë·ç
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û