²é¿´: 611  |  »Ø¸´: 1

weixuesong

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

[ÇóÖú] MS5.5 CASTEP ¼ÆË㵯ÐÔ³£Êýʱ³öÏÖÒÔÏ´íÎó£¬ÇëÎÊÔõô»ØÊ£¿

MS5.5 CASTEP ¼ÆË㵯ÐÔ³£Êýʱ³öÏÖÒÔÏ´íÎó£¬ÇëÎÊÔõô»ØÊ£¿

Writing model to alunite_cij__1__1.check
Error in md_damped_optimisation: unrecognised optimisation method
Current trace stack:
md_damped_optimisation
geometry_optimise
castep
MPI Application rank 0 exited before MPI_Finalize() with status 1
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

ylli

ľ³æ (СÓÐÃûÆø)

md_damped_optimisation
Õâ¸öÓÐÎÊÌ⣬Ӧ¸ÃÊÇ¡£½«ÓÅ»¯Ëã·¨¸ÄΪ£ºÆäËûµÄÊÔÊÔ£¡±ÈÈ磺BFGS
2Â¥2012-02-06 10:43:58
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ weixuesong µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄϾ©Àí¹¤´óѧ085701×ÊÔ´Óë»·¾³302·ÖÇóµ÷¼Á +3 ¿ûè÷ÎÀ¶Ó 2026-03-18 5/250 2026-03-19 19:35 by ¸øÄãÄã×¢ÒâÐÝÏ¢
[¿¼ÑÐ] ¡¾¿¼Ñе÷¼Á¡¿»¯Ñ§×¨Òµ 281·Ö£¬Ò»Ö¾Ô¸ËÄ´¨´óѧ£¬³ÏÐÄÇóµ÷¼Á +5 ³Ô³Ô³Ô²ÅÓÐÒâÒå 2026-03-19 5/250 2026-03-19 16:18 by 30660438
[¿¼ÑÐ] ±¾ÈË¿¼085602 »¯Ñ§¹¤³Ì ר˶ +17 ²»ÖªµÀ½Ðʲô£¡ 2026-03-15 19/950 2026-03-19 15:06 by ¾¡Ë´Ò¢1
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤Çóµ÷¼Á +7 Ϊѧ666 2026-03-16 7/350 2026-03-19 14:48 by ¾¡Ë´Ò¢1
[¿¼ÑÐ] 317Çóµ÷¼Á +3 Éê×ÓÉêÉê 2026-03-19 6/300 2026-03-19 14:16 by Éê×ÓÉêÉê
[¿¼ÑÐ] Çóµ÷¼Á +3 Mqqqqqq 2026-03-19 3/150 2026-03-19 14:11 by peike
[¿¼ÑÐ] ²ÄÁÏ080500µ÷¼ÁÇóÊÕÁô +4 Ò»¿Åmeteor 2026-03-13 4/200 2026-03-19 10:32 by 30660438
[½Ìʦ֮¼Ò] ½¹ÂÇ +9 Ë®±ùÔÂÔÂÒ°Íà 2026-03-13 13/650 2026-03-19 09:50 by otani
[¿¼ÑÐ] ²ÄÁÏר˶ӢһÊý¶þ306 +5 z1z2z3879 2026-03-18 5/250 2026-03-19 07:43 by BruceLiu320
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á£¬Çó¸÷λÀÏʦÊÕÁô +10 ÇïÓÐľ±± 2026-03-14 10/500 2026-03-19 05:52 by anny19840123
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤ +5 °²È«Éϰ¶£¡ 2026-03-16 5/250 2026-03-18 15:33 by cmz0325
[¿¼ÑÐ] 0854¿É¿çµ÷¼Á£¬Ò»×÷Ò»ÏîºËÐÄÂÛÎÄÎåÏîרÀû£¬Ê¡¡¢¹ú¼¶Ö¤Êé40+ÊýÒ»Ó¢Ò»287 +8 СÀî0854 2026-03-16 8/400 2026-03-18 14:35 by ²«»÷518
[¿¼ÑÐ] 278Çóµ÷¼Á +5 ÑÌ»ðÏÈÓÚ´º 2026-03-17 5/250 2026-03-18 08:43 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] ¿¼Ñл¯Ñ§Ñ§Ë¶µ÷¼Á£¬Ò»Ö¾Ô¸985 +4 ÕÅvvvv 2026-03-15 6/300 2026-03-17 17:15 by ruiyingmiao
[¿¼ÑÐ] 274Çóµ÷¼Á +5 ʱ¼äµã 2026-03-13 5/250 2026-03-17 07:34 by ÈÈÇéɳĮ
[¿¼ÑÐ] 318Çóµ÷¼Á +3 Yanyali 2026-03-15 3/150 2026-03-16 16:41 by houyaoxu
[¿¼ÑÐ] 070300»¯Ñ§Ñ§Ë¶Çóµ÷¼Á +6 Ì«Ïë½ø²½ÁË0608 2026-03-16 6/300 2026-03-16 16:13 by kykm678
[¿¼ÑÐ] 277²ÄÁÏ¿ÆÑ§Ó빤³Ì080500Çóµ÷¼Á +3 ×ÔÓɼå±ý¹û×Ó 2026-03-16 3/150 2026-03-16 14:10 by ÔËÆøyunqi
[¿¼ÑÐ] 326Çóµ÷¼Á +3 mlpqaz03 2026-03-15 3/150 2026-03-16 07:33 by Iveryant
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤ 323 Ó¢Ò»+Êý¶þ+Îﻯ£¬Ò»Ö¾Ô¸£º¹þ¹¤´ó ±¾È˱¾¿ÆË«Ò»Á÷ +4 ×ÔÓɵÄ_·ÉÏè 2026-03-13 5/250 2026-03-14 19:39 by hmn_wj
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û