±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 4855  |  »Ø¸´: 13
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

babaleo

ľ³æ (ÕýʽдÊÖ)


[½»Á÷] ¡¾ÇóÖú¡¿VASP ¼ÆËã½á¹û-Ó¦Á¦

Èô×÷Ó¦Á¦-Ó¦±ä¹ØÏµ£¬ ÇëÎÊVASP Êä³öµÄÓ¦Á¦ÔÚOUTCAR ÀïÄÄÒ»¶Î£¿ÊDz»ÊÇ
FORCE on cell =-STRESS in cart. coord.  units (eV/reduce length):£¿
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

VASP

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

» ÇÀ½ð±ÒÀ²£¡»ØÌû¾Í¿ÉÒԵõ½:

²é¿´È«²¿É¢½ðÌù

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

yancui123

½ð³æ (СÓÐÃûÆø)


¡ï
babaleo(½ð±Ò+1): лл²ÎÓë
ÒýÓûØÌû:
11Â¥: Originally posted by donggaomin at 2013-03-16 16:48:22
babaleo,ÄúºÃ£¡ÎÒÓÐÒ»¸öСÒÉ»ó£¬ÏëÇë½ÌÄú£¡
ÄúÔÚÒ»¸öÌû×ÓÉϸøÎÒÃÇÁгöÁËÏÂÃæµÄÀý×Ó£º

±ÈÈçOrthorombic, ÓÐ9¸ö·ÇÁã Cij, ¼ÓÓ¦±ä(00e00e)µÄ»°,
        s1                C11        C12        C13        0 ...

ÄãºÃ£¬ÎÒÏëÎÊһϣ¬ÄãÕâ¸öÓ¦±äµÄÊ©¼Ó£¬ÊÇÔÚINCARÖÐÉèÖõÄÂð£¿ÈçºÎÊ©¼ÓÕâ¸öÓ¦±ä°¡
14Â¥2015-03-17 18:45:26
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 14 ¸ö»Ø´ð
¡ï ¡ï
babaleo(½ð±Ò+1):лл²ÎÓë
zzy870720z(½ð±Ò+1):ллָµã 2010-11-12 16:44:14
¿´ ¡°in kB¡± ÄÇÒ»ÐС£¶ÔÓ¦µÄÓ¦Á¦ÊÇ   Fxx  Fyy Fzz    Fxy  Fyz Fzx
2Â¥2010-11-12 13:26:23
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

babaleo

ľ³æ (ÕýʽдÊÖ)


ÒýÓûØÌû:
Originally posted by gavinliu7390 at 2010-11-12 13:26:23:
¿´ ¡°in kB¡± ÄÇÒ»ÐС£¶ÔÓ¦µÄÓ¦Á¦ÊÇ   Fxx  Fyy Fzz    Fxy  Fyz Fzx

ллָµã.
3Â¥2010-11-13 09:54:14
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zsjan

½ð³æ (ÕýʽдÊÖ)


¡ï
babaleo(½ð±Ò+1):лл²ÎÓë
ΪʲôֻÊÇÁù¸ö·ÖÁ¿¶ø²»ÊǾŸöÄØ£¿
4Â¥2010-11-20 15:19:52
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 279Çóµ÷¼Á +3 jµÄÁ¢·½ 2026-03-29 3/150 2026-03-30 07:55 by melodiousnow
[¿¼ÑÐ] ²ÄÁϹ¤³Ìר˶Çóµ÷¼Á +3 hyl3153942 2026-03-29 3/150 2026-03-30 07:41 by melodiousnow
[¿¼ÑÐ] 281Çóµ÷¼Á +4 ÑÇ¿ËÎ÷good 2026-03-26 6/300 2026-03-29 21:06 by °¡Àî999
[¿¼ÑÐ] µ÷¼Á310 +12 ÎÂÈáµÄÍí°² 2026-03-25 13/650 2026-03-29 20:01 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 322Çóµ÷¼Á£ºÒ»Ö¾Ô¸ºþÄÏ´óѧ ²ÄÁÏÓ뻯¹¤£¨085600£©£¬ÒѹýÁù¼¶¡£ +4 XXСµË 2026-03-29 4/200 2026-03-29 17:34 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 277¹òÇóµ÷¼Á +6 1915668 2026-03-27 10/500 2026-03-29 16:03 by ÍõÁÁ_´óÁ¬Ò½¿Æ´ó
[¿¼ÑÐ] 329Çóµ÷¼Á +10 Å¥¶÷Ñ© 2026-03-25 10/500 2026-03-29 13:32 by peike
[¿¼ÑÐ] 321Çóµ÷¼Á +7 è±Óñ~~ 2026-03-25 8/400 2026-03-29 06:41 by 544594351
[¿¼ÑÐ] 322Çóµ÷¼Á +7 ËÎÃ÷ÐÀ 2026-03-27 7/350 2026-03-28 21:27 by sanrepian
[¿¼ÑÐ] 295²ÄÁϹ¤³Ìר˶Çóµ÷¼Á +7 1428151015 2026-03-27 7/350 2026-03-28 19:58 by S240
[¿¼ÑÐ] Ò»Ö¾Ô¸ÖÐÄÏ´óѧ»¯Ñ§0703×Ü·Ö337Çóµ÷¼Á +5 niko- 2026-03-27 5/250 2026-03-28 14:25 by ÌÆãå¶ù
[¿¼ÑÐ] 081200-314 +3 LILIQQ 2026-03-27 4/200 2026-03-28 09:41 by ±£»¤µØÇòÄãÎÒ×öÆ
[¿¼ÑÐ] 292Çóµ÷¼Á +14 ¶ì¶ì¶ì¶î¶î¶î¶î¶ 2026-03-25 15/750 2026-03-28 08:45 by WYUMater
[¿¼ÑÐ] Ò»Ö¾Ô¸Ö£´ó085600£¬310·ÖÇóµ÷¼Á +5 Àîäì¿É 2026-03-26 5/250 2026-03-27 11:14 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 284Çóµ÷¼Á +11 junqihahaha 2026-03-26 12/600 2026-03-27 04:37 by wxiongid
[¿¼ÑÐ] ²ÄÁÏ¿¼ÑÐÇóµ÷¼Á +3 Dendel 2026-03-23 6/300 2026-03-26 17:51 by fmesaito
[¿¼ÑÐ] Ò»Ö¾Ô¸ºÓ¹¤´ó 081700 276Çóµ÷¼Á +4 µØÇòÈÆ×ÅÌ«Ñôת 2026-03-23 4/200 2026-03-26 14:27 by zzll406
[¿¼ÑÐ] ÇóbÇøÔºÐ£µ÷¼Á +4 ÖÜ56 2026-03-24 5/250 2026-03-25 17:12 by yishunmin
[¿¼ÑÐ] 302Çóµ÷¼Á +4 ½õÒÂÎÀÌÙ½· 2026-03-25 4/200 2026-03-25 16:29 by ¹¦·ò·è¿ñ
[¿¼ÑÐ] »¯¹¤×¨Ë¶Çóµ÷¼Á +3 questionÍì·ç 2026-03-24 3/150 2026-03-24 18:48 by jhhcooi
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û