±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 17183  |  »Ø¸´: 356
¡¾½±Àø¡¿ ±¾Ìû±»ÆÀ¼Û256´Î£¬×÷Õßwangz00Ôö¼Ó½ð±Ò 200.6 ¸ö

wangz00

½û³æ (ÕýʽдÊÖ)


[×ÊÔ´] vasp vtst NEB ³õѧÕßÈëÃÅ

×î½üÔÚѧϰvasp NEB¼ÆË㣬×ܽáÁËÒ»µã¶«Î÷£¬·ÖÏí³öÀ´£¬Ï£Íû¶Ô´ó¼ÒÓеãÓô¦£¬Èç¹ûÕæµÄÓÐÓ㬴ó¼Ò¾Í»Ø¸´Ò»¸ö¡£¼ÓÓÍ
»Ø¸´´ËÂ¥

» ±¾Ìû¸½¼þ×ÊÔ´Áбí

  • »¶Ó­¼à¶½ºÍ·´À¡£ºÐ¡Ä¾³æ½öÌṩ½»Á÷ƽ̨£¬²»¶Ô¸ÃÄÚÈݸºÔð¡£
    ±¾ÄÚÈÝÓÉÓû§×ÔÖ÷·¢²¼£¬Èç¹ûÆäÄÚÈÝÉæ¼°µ½ÖªÊ¶²úȨÎÊÌ⣬ÆäÔðÈÎÔÚÓÚÓû§±¾ÈË£¬Èç¶Ô°æÈ¨ÓÐÒìÒ飬ÇëÁªÏµÓÊÏ䣺xiaomuchong@tal.com
  • ¸½¼þ 1 : vaspvtstNEB³õѧÕßÈëÃÅ.pdf
  • 2013-01-23 10:04:28, 166.33 K

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

¾«»ªÍøÌûÊÕ¼¯ µÚÒ»ÐÔÔ­ÀíÏà¹ØÎĵµ VASP vasp¼ÆËã×ÊÁÏ
VASPÈí¼þ´ÓÈëÃŵ½¸ßÉî vasp ·Ö×Ó¶¯Á¦Ñ§ vasp¼ÆËã×ܽá
VASP-NEB µç×ÓÊé¼® ×ÊÔ´Èí¼þ ¼ÆË㻯ѧ-¸¨Öú¹¤¾ß
vasp»ù´¡ ÆäËû ¶à¶à񾃮 ¼ÆËã×ÊÁÏÊÕ¼¯byFrank

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

wangz00

½û³æ (ÕýʽдÊÖ)

±¾ÌûÄÚÈݱ»ÆÁ±Î

20Â¥2013-01-26 10:02:50
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

enola

¾èÖú¹ó±ö (ÕýʽдÊÖ)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

ллlz£¬Ò»Ö±ÏëÕÒ¸öÀý×ÓÊÔÒ»ÊÔ¡£¡£¡£¡£
35Â¥2013-03-22 13:13:28
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lkccrr

ľ³æ (СÓÐÃûÆø)


¡ï¡ï¡ï ÈýÐǼ¶,Ö§³Ö¹ÄÀø

лÀ²£¡º®¼Ù»Ø¼Ò¿´¿´
4Â¥2013-01-23 19:01:28
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

datouwa

ľ³æ (СÓÐÃûÆø)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

ллÄãµÄÌû×Ó
8Â¥2013-01-24 14:13:52
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

w.g.xjtu

ľ³æ (ÕýʽдÊÖ)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

ͦºÃ
11Â¥2013-01-25 01:08:17
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

лл£¬ÔÞ·ÖÏí£¡
13Â¥2013-01-25 12:53:50
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

fanguright

гæ (³õÈëÎÄ̳)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

ÒýÓûØÌû:
20Â¥: Originally posted by wangz00 at 2013-01-26 10:02:50
¸üÕý£ºvasp vtst NEB³õѧÕßÈëÃÅ ÓÐÒ»´¦Ð¡´íÎó£¬ÏÖÒѸüÕý
ÖØÐÂÉÏ´«£¬Ôì³ÉµÄ²»±ãÇëÁ½â

¸üÕýÄÚÈÝ£º
nebconverge.pl£º
ÐèÒª£º OUTCAR
²é¿´Ã¿¸öneb image µÄÊÕÁ²Çé¿ö£¬ËÑË÷OUTCARÎļþ£¬µÃµ½RMS forcesºÍenergy d ...

лл¥Ö÷£¡Ñ§Ï°ÁË£¡
22Â¥2013-01-28 17:09:41
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

datouwa

ľ³æ (СÓÐÃûÆø)


ѧϰÁË£¬Ð»Ð»
30Â¥2013-03-13 17:22:05
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

chinamanner1

½ð³æ (³õÈëÎÄ̳)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

Õý¿ªÊ¼Ñ§£¬ºÜºÃ
36Â¥2013-03-29 09:07:15
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

tiaozaoququ

ľ³æ (ÖøÃûдÊÖ)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

Â¥Ö÷ÐÁ¿àÁË
37Â¥2013-03-29 09:52:44
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

njulxl

Ìú³æ (³õÈëÎÄ̳)


¡ï¡ï¡ï ÈýÐǼ¶,Ö§³Ö¹ÄÀø

лл¥Ö÷
41Â¥2013-04-02 21:25:28
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yuwenxianglong

Ìú¸Ëľ³æ (ÕýʽдÊÖ)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡Â¥Ö÷ÐÁ¿àÁË
46Â¥2013-04-24 08:22:26
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¼òµ¥»Ø¸´
3711319902Â¥
2013-01-23 11:51   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2755600603Â¥
2013-01-23 13:41   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
xzyme5Â¥
2013-01-23 19:36   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
wz905966Â¥
2013-01-24 09:06   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
dirtor7Â¥
2013-01-24 12:12   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2013-01-24 17:16   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
guodonglin10Â¥
2013-01-24 19:00   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
Ê·¶«ÁÖ12Â¥
2013-01-25 12:41   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
sappler14Â¥
2013-01-25 15:17   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
ypp518115Â¥
2013-01-25 15:57   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
ÇåÇåÁã16Â¥
2013-01-25 16:12   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2013-01-25 16:27   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
victor62618Â¥
2013-01-25 20:45   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
200721334019Â¥
2013-01-26 09:59   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
seaso21Â¥
2013-01-28 13:28   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
zhchzhsh207623Â¥
2013-01-28 21:55   »Ø¸´  
ÎåÐÇºÃÆÀ  ¸Ðл·ÖÏí¡£
liangpei24Â¥
2013-01-31 11:05   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
zzggbb25Â¥
2013-01-31 11:14   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2013-02-06 16:06   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
nfer27Â¥
2013-03-05 21:28   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2013-03-06 10:08   »Ø¸´  
¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
janeshi29Â¥
2013-03-12 20:18   »Ø¸´  
ÈýÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
105135818731Â¥
2013-03-14 18:54   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
hu_hui32Â¥
2013-03-14 20:18   »Ø¸´  
ÈýÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
sheskybird33Â¥
2013-03-15 20:28   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
qizhengliang34Â¥
2013-03-16 22:04   »Ø¸´  
Ò»°ã  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
terry5211238Â¥
2013-03-29 17:58   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
dufuming39Â¥
2013-04-01 22:15   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
m212540Â¥
2013-04-02 10:11   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
dengyiqun42Â¥
2013-04-03 10:53   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
superest43Â¥
2013-04-08 09:19   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
jizw070444Â¥
2013-04-15 18:20   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
½¹·É45Â¥
2013-04-17 08:34   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
aibude16347Â¥
2013-05-08 20:20   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
sjzxbe48Â¥
2013-05-09 09:51   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
baal661349Â¥
2013-05-09 10:15   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
cheng_devote50Â¥
2013-05-13 15:02   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ wangz00 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Çóµ÷¼Á +8 ÕÅzz111 2026-03-27 9/450 2026-03-28 03:41 by fmesaito
[¿¼ÑÐ] Çóµ÷¼Á +6 °×QF 2026-03-21 7/350 2026-03-28 00:42 by °×QF
[¿¼ÑÐ] 295²ÄÁϹ¤³Ìר˶Çóµ÷¼Á +5 1428151015 2026-03-27 5/250 2026-03-27 22:17 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] ѧ˶274Çóµ÷¼Á +5 LiÀîÓã 2026-03-26 5/250 2026-03-27 20:51 by ÈÈÇéɳĮ
[¿¼ÑÐ] 085600£¬²ÄÁÏÓ뻯¹¤321·Ö£¬Çóµ÷¼Á +9 ´ó²öС×Ó 2026-03-27 9/450 2026-03-27 14:30 by mmm just
[¿¼ÑÐ] 299Çóµ÷¼Á +6 àÅàÅàÅàÅ2 2026-03-27 6/300 2026-03-27 12:43 by ¹û¹ûÂèßä
[¿¼ÑÐ] 334Çóµ÷¼Á +3 ÓêÇåÌìÇç 2026-03-21 3/150 2026-03-27 11:30 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] ²ÄÁÏÇóµ÷¼Á +5 .m.. 2026-03-25 5/250 2026-03-27 11:08 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] Çóµ÷¼Á Ò»Ö¾Ô¸ ±¾¿Æ ±±¿Æ´ó »¯Ñ§ 343 +6 13831862839 2026-03-24 7/350 2026-03-26 22:57 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 333Çóµ÷¼Á +7 87639 2026-03-21 12/600 2026-03-26 22:08 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 321Çóµ÷¼Á +6 Ymlll 2026-03-24 6/300 2026-03-26 20:50 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 085602»¯Ñ§¹¤³ÌÇóµ÷¼Á¡£ +4 ƽÀÖÀÖÀÖ 2026-03-26 4/200 2026-03-26 17:57 by fmesaito
[¿¼ÑÐ] Ò»Ö¾Ô¸¹þ¹¤´ó£¬085400£¬320£¬Çóµ÷¼Á +4 gdlf9999 2026-03-24 4/200 2026-03-25 23:01 by boxking200
[¿¼ÑÐ] ¸÷λÀÏʦÄúºÃ£º±¾È˳õÊÔ372·Ö +5 jjÓ¿77 2026-03-25 6/300 2026-03-25 14:15 by mapenggao
[¿¼ÑÐ] BÇø¿¼Ñе÷¼Á +4 yqdszhdap£­ 2026-03-22 5/250 2026-03-25 08:51 by baoball
[¿¼ÑÐ] Çóµ÷¼Á +6 ÑÐÑУ¬½Óµç»° 2026-03-24 7/350 2026-03-24 17:01 by barlinike
[¿¼ÑÐ] 292Çóµ÷¼Á +4 ¶ì¶ì¶ì¶î¶î¶î¶î¶ 2026-03-24 4/200 2026-03-24 16:41 by peike
[¿¼ÑÐ] Ò»Ö¾Ô¸¼ª´ó»¯Ñ§322Çóµ÷¼Á +4 17501029541 2026-03-23 6/300 2026-03-24 10:21 by ´÷Χ²±µÄСÎÃ×Ó
[¿¼ÑÐ] Ò»Ö¾Ô¸ÖØÇì´óѧ085700×ÊÔ´Óë»·¾³£¬×Ü·Ö308Çóµ÷¼Á +7 īīĮ 2026-03-23 8/400 2026-03-23 20:36 by Creta
[¿¼ÑÐ] 336»¯¹¤µ÷¼Á +4 Íõ´ó̹1 2026-03-23 5/250 2026-03-23 18:32 by allen-yin
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û