²é¿´: 3191  |  »Ø¸´: 12

calos818

ľ³æ (ÖøÃûдÊÖ)

ÐÂÈ˲ËÄñ

[½»Á÷] ¡¾ÇóÖú¡¿ZBRENT: fatal internal in brackting system-shutdown; contact gK immediat ÒÑÓÐ8È˲ÎÓë

½á¹¹ÓÅ»¯¾­³£³öÏÖÕâ¸öÎÊÌ⣬ºÜÊǾÀ½á£¬EDIFFGÒªÊǸijÉÕýÖµ£¬¾Í²»»á³öÏÖÕâÖÖÇé¿ö£¬²é¹ÙÍøÁË£¬ÀàËÆÎÊÌâÒ²ÎÊÁË£¬»¹ÊÇû½â¾ö£¬´ó¼Ò°ï·ÖÎöÏ£¬ÎÒµÄEDIFF=1E-5
EDIFFG=-1E-2
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
»ØÌûÖ§³Ö ( ÏÔʾ֧³Ö¶È×î¸ßµÄǰ 50 Ãû )

calos818

ľ³æ (ÖøÃûдÊÖ)

ÐÂÈ˲ËÄñ

¡ï
liliangfang(½ð±Ò+1): ¹ÄÀø½»Á÷ 2012-01-13 10:14:27
ÒýÓûØÌû:
Â¥: Originally posted by gougou531 at 2012-01-13 08:35:41:
Â¥Ö÷£¬ÎÒÏÖÔÚÔε¹ºÍÄãÒ»ÑùµÄÎÊÌâÁË£¬ÓÅ»¯Ò»¸öÌåϵÀÏÊDz»ÊÕÁ²£¬µ½×îºó³öÏÖÄãÌâÄ¿ÖÐÕâÑùµÄÎÊÌ⣬ÏëÎÊÄã×îºóÔõô½â¾öÕâÒ»ÎÊÌâµÄ£¬Ð»Ð»¡£ºÇºÇ£¬¼±ÓÃ

µ÷С¾«¶ÈÓ¦¸Ã¿ÉÒÔ£¬»òÕßcp CONTCAR2POSCAR
ʵÔÚ²»ÐÐÖ»ÄÜPrayÁË O(¡É_¡É)O~
9Â¥2012-01-13 09:33:12
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

babaleo

ľ³æ (ÕýʽдÊÖ)

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
liliangfang(½ð±Ò+1): ¹ÄÀø½»Á÷ 2012-01-14 12:10:38
ÎÒÒ²Óöµ½¹ý, ±ä»»ÓÅ»¯·½·¨
IALGO=48
ALGO=Fast
½â¾öÁËÎÒµÄÎÊÌâ
11Â¥2012-01-14 10:28:51
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
ÆÕͨ»ØÌû

quby7503

Òø³æ (ÖøÃûдÊÖ)

¡ï
hedaors(½ð±Ò+1):Thanks 2010-06-25 12:48:05
calos818(½ð±Ò+1): 2010-06-25 20:51:02
ÓÃCONTCAR ¸²¸Ç POSCAR£¬ÔÙÓÅ»¯Ò»Ï£¬ÎÊÌâ»ù±¾ÉÏ¿ÉÒÔ½â¾ö
2Â¥2010-06-25 10:05:17
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

condensed

ľ³æ (ÖøÃûдÊÖ)

¡ï
zzy870720z(½ð±Ò+1):ллÌáʾ 2010-06-25 11:14:31
calos818(½ð±Ò+1): 2010-06-25 20:51:05
¿´ÄãPOTIMµÄÉèÖÃ.Ò»°ãÊÇPOTIMÉèÖÃÌ«´óÁË.ÿ´ÎÕðµ´µÄʱºò¶¼Ô½¹ýÁËÄÜÁ¿×îСֵ.
3Â¥2010-06-25 10:15:04
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

xh512

½ð³æ (ÕýʽдÊÖ)

¡ï
hedaors(½ð±Ò+1):Thanks 2010-06-25 12:48:48
ÓÐʱºòÐèÒª»»ÏÂÀë×ÓÓÅ»¯Ëã·¨
4Â¥2010-06-25 12:11:17
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

calos818

ľ³æ (ÖøÃûдÊÖ)

ÐÂÈ˲ËÄñ

ÒýÓûØÌû:
Originally posted by condensed at 2010-06-25 10:15:04:
¿´ÄãPOTIMµÄÉèÖÃ.Ò»°ãÊÇPOTIMÉèÖÃÌ«´óÁË.ÿ´ÎÕðµ´µÄʱºò¶¼Ô½¹ýÁËÄÜÁ¿×îСֵ.

ÎÒÓõÄĬÈÏÖµ£¬ÇëÎÊ¿ÉÒÔ¸ÄΪ¶àÉÙ£¬Ð»Ð»Äã
5Â¥2010-06-25 20:51:31
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

condensed

ľ³æ (ÖøÃûдÊÖ)

¡ï
hedaors(½ð±Ò+1):thanks 2010-06-25 22:40:55
²»ÖªµÀ...Òª²âÊÔÒ®.ĬÈϵÄÊÇ0.5,ÎÒÒ»°ãÓÃ0.05¡£..
6Â¥2010-06-25 22:36:33
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

calos818

ľ³æ (ÖøÃûдÊÖ)

ÐÂÈ˲ËÄñ

ÒýÓûØÌû:
Originally posted by condensed at 2010-06-25 22:36:33:
²»ÖªµÀ...Òª²âÊÔÒ®.ĬÈϵÄÊÇ0.5,ÎÒÒ»°ãÓÃ0.05¡£..

Õâ¸öÔõô²âÊԵĻ¹ÒªÓýű¾£¬¾­³£³öÏÖ¼¼ÊõfailµÄÇé¿ö£¬ÄãÃÇÒ²ÕâÑùÂð£¬Ò»°ãÊÇÔõô´¦ÀíµÄ
7Â¥2010-06-26 08:06:02
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

gougou531

½û³æ (ÕýʽдÊÖ)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
±¾ÌûÄÚÈݱ»ÆÁ±Î

8Â¥2012-01-13 08:35:41
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

gougou531

½û³æ (ÕýʽдÊÖ)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
±¾ÌûÄÚÈݱ»ÆÁ±Î

10Â¥2012-01-13 11:16:15
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ calos818 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 265Çóµ÷¼Á +4 ÁºÁºÐ£Ð£ 2026-03-19 4/200 2026-03-20 00:03 by 23Postgrad
[¿¼ÑÐ] 286·ÖÈ˹¤ÖÇÄÜרҵÇëÇóµ÷¼ÁÔ¸Òâ¿ç¿¼£¡ +3 lemonzzn 2026-03-17 3/150 2026-03-19 23:58 by 23Postgrad
[¿¼ÑÐ] 294Çóµ÷¼Á²ÄÁÏÓ뻯¹¤×¨Ë¶ +14 ݤÎÉ­ÁÖ 2026-03-18 14/700 2026-03-19 22:38 by ѧԱ8dgXkO
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤ Çóµ÷¼Á +14 enenenhui 2026-03-13 15/750 2026-03-19 21:53 by allen-yin
[¿¼²©] É격26Äê +3 °Ë6°Ë68 2026-03-19 3/150 2026-03-19 19:43 by nxgogo
[¿¼ÑÐ] ²ÄÁÏר˶274Ò»Ö¾Ô¸ÉÂÎ÷ʦ·¶´óѧÇóµ÷¼Á +8 Ñ¦ÔÆÅô 2026-03-13 8/400 2026-03-19 15:36 by haoshis
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤µ÷¼Á 324·Ö +10 llllkkkhh 2026-03-18 12/600 2026-03-19 14:33 by llllkkkhh
[¿¼ÑÐ] 317Çóµ÷¼Á +3 Éê×ÓÉêÉê 2026-03-19 6/300 2026-03-19 14:16 by Éê×ÓÉêÉê
[¿¼ÑÐ] 328Çóµ÷¼Á£¬Ó¢ÓïÁù¼¶551£¬ÓпÆÑо­Àú +4 ÉúÎ﹤³Ìµ÷¼Á 2026-03-16 12/600 2026-03-19 11:10 by ÉúÎ﹤³Ìµ÷¼Á
[¿¼ÑÐ] ²ÄÁÏ080500µ÷¼ÁÇóÊÕÁô +4 Ò»¿Åmeteor 2026-03-13 4/200 2026-03-19 10:32 by 30660438
[¿¼ÑÐ] 274Çóµ÷¼Á +6 S.H1 2026-03-18 6/300 2026-03-19 09:34 by »¨µêÏà¼û
[¿¼ÑÐ] ²ÄÁϹ¤³Ìר˶µ÷¼Á +5 204818@lcx 2026-03-17 6/300 2026-03-18 22:55 by 204818@lcx
[¿¼ÑÐ] ²ÄÁÏרҵÇóµ÷¼Á +5 hanamiko 2026-03-18 5/250 2026-03-18 20:19 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 085601ר˶£¬×Ü·Ö342Çóµ÷¼Á£¬µØÇø²»ÏÞ +5 share_joy 2026-03-16 5/250 2026-03-18 14:48 by haxia
[¿¼ÑÐ] 303Çóµ÷¼Á +4 î£08 2026-03-17 6/300 2026-03-18 11:01 by Iveryant
[¿¼ÑÐ] 302Çóµ÷¼Á +4 С¼Öͬѧ123 2026-03-15 8/400 2026-03-17 10:33 by С¼Öͬѧ123
[¿¼ÑÐ] 0703 ÎïÀí»¯Ñ§µ÷¼Á +3 ÎÒ¿ÉÒÔÉϰ¶µÄ¶Ô 2026-03-13 5/250 2026-03-16 10:50 by ÎÒ¿ÉÒÔÉϰ¶µÄ¶ÔÂ
[¿¼ÑÐ] ÇóÀÏʦÊÕÁôµ÷¼Á +4 jiang½ª66 2026-03-14 5/250 2026-03-15 20:11 by Winj1e
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á +3 ºôºô£¿~+123456 2026-03-14 3/150 2026-03-14 16:53 by WTUChen
[˶²©¼ÒÔ°] 085600 260·ÖÇóµ÷¼Á +3 Ìì¿Õ»¹ÏÂÓêô 2026-03-13 5/250 2026-03-13 18:46 by Ìì¿Õ»¹ÏÂÓêô
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û