±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 720  |  »Ø¸´: 4

chem1000

ÖÁ×ðľ³æ (ÕýʽдÊÖ)

[ÇóÖú] CASTEPÎÞ·¨ÔËÐÐ ÒÑÓÐ2È˲ÎÓë

ÏëÔÚwindowsÏÂÓÃMSÖеÄCASTEPÄ£¿éÄ£ÄâSTM£¬·Ö×Ó¹¹Ð͵¼Èëºó£¬CASTEP->Calculation£¬ÎļþÎÞ·¨±£´æ£¬¼ÆËãÎÞ·¨ÔËÐУ¬Ê²Ã´¸öÇé¿ö£¿

CASTEPÎÞ·¨ÔËÐÐ
ͼƬ2.jpg
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

runchange

Òø³æ (СÓÐÃûÆø)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
chem1000: ½ð±Ò+5 2014-08-26 15:33:33
ÄãµÄ½á¹¹²»ÊÇÖÜÆÚÐԵİÉ
change
2Â¥2014-08-24 21:05:38
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lion_tiger

ÖÁ×ðľ³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
chem1000: ½ð±Ò+5 2014-08-26 15:33:27
Ó¦¸ÃÊÇһ¥˵µÄ£¬½á¹¹²»ÊÇÖÜÆÚ¼äµÄ½á¹¹£¬ÔÚBuild Ñ¡ÏîÀïÃæ£¬½¨Ò»¸öcell£¬°Ñ½á¹¹¡°¿ò½øÈ¥¡±
3Â¥2014-08-25 11:09:52
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

chem1000

ÖÁ×ðľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
2Â¥: Originally posted by runchange at 2014-08-24 21:05:38
ÄãµÄ½á¹¹²»ÊÇÖÜÆÚÐԵİÉ

ÊÇ£¬ÒѾ­½â¾öÁË£¬Ð»ÁË
4Â¥2014-08-26 15:33:06
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

chem1000

ÖÁ×ðľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
3Â¥: Originally posted by lion_tiger at 2014-08-25 11:09:52
Ó¦¸ÃÊÇһ¥˵µÄ£¬½á¹¹²»ÊÇÖÜÆÚ¼äµÄ½á¹¹£¬ÔÚBuild Ñ¡ÏîÀïÃæ£¬½¨Ò»¸öcell£¬°Ñ½á¹¹¡°¿ò½øÈ¥¡±

5Â¥2014-08-26 15:33:19
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ StBernardus µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 085600 286·Ö ²ÄÁÏÇóµ÷¼Á +10 ÂéÀ±öÏÓã 2026-03-27 11/550 2026-03-29 21:52 by nanaliuyun
[¿¼ÑÐ] 085601²ÄÁϹ¤³ÌÕÒµ÷¼Á +14 oatmealR 2026-03-29 15/750 2026-03-29 21:48 by plmuchong
[¿¼ÑÐ] ²ÄÁÏר˶µ÷¼Á +5 Ò¬Ò¬¡£ 2026-03-29 5/250 2026-03-29 20:50 by ÌÆãå¶ù
[¿¼ÑÐ] 311Çóµ÷¼Á +6 ¶¬Ê®Èý 2026-03-24 6/300 2026-03-29 20:45 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] ×Ü·Ö293Çóµ÷¼Á +8 ¼ÓÒ»Ò»¾Å 2026-03-25 11/550 2026-03-29 19:53 by Î޼ʵIJÝÔ­
[»ù½ðÉêÇë] ÃæÉÏ5BÄÜÉÏ»áÂ𣿠+4 redcom 2026-03-29 4/200 2026-03-29 17:39 by ×î°®±à×ë´Çµä
[¿¼ÑÐ] 330·ÖÇóµ÷¼Á +5 qzenlc 2026-03-29 5/250 2026-03-29 07:37 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] ѧ˶274Çóµ÷¼Á +9 LiÀîÓã 2026-03-26 9/450 2026-03-28 21:42 by bymhappy
[¿¼ÑÐ] 283Çóµ÷¼Á +3 A child 2026-03-28 3/150 2026-03-28 15:41 by ms629
[¿¼ÑÐ] 085602 »¯¹¤×¨Ë¶ 338·Ö Çóµ÷¼Á +12 ·³ÕСç÷ 2026-03-27 12/600 2026-03-28 15:41 by L135790
[¿¼ÑÐ] 394Çóµ÷¼Á +3 ºÃʶàÄ¥¾²ºò¼ÑÒ 2026-03-26 5/250 2026-03-28 14:24 by ÌÆãå¶ù
[¿¼ÑÐ] 0856£¬²ÄÁÏÓ뻯¹¤321·ÖÇóµ÷¼Á +12 ´ó²öС×Ó 2026-03-27 13/650 2026-03-28 10:56 by self2008
[¿¼ÑÐ] 331»·¾³¿ÆÑ§Ó빤³ÌÇóµ÷¼Á +3 ìÚÈ»ºÃÔËÆø 2026-03-27 3/150 2026-03-28 04:11 by fmesaito
[¿¼ÑÐ] 315·ÖÇóµ÷¼Á +7 26¿¼ÑÐÉϰ¶°æ26 2026-03-26 7/350 2026-03-28 04:05 by fmesaito
[¿¼ÑÐ] ²ÄÁϵ÷¼Á 5+4 ÏëÒªÒ»ºøÌÒ»¨Ë® 2026-03-25 10/500 2026-03-26 19:56 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 07»¯Ñ§303Çóµ÷¼Á +5 î£08 2026-03-25 5/250 2026-03-25 22:46 by 418490947
[¿¼ÑÐ] Ò»Ö¾Ô¸ÎäÀí085500»úеרҵ×Ü·Ö300Çóµ÷¼Á +3 an10101 2026-03-24 7/350 2026-03-25 00:00 by ɽ¹í0-
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄϺ½²ÄÁÏר317·ÖÇóµ÷¼Á +5 ըѽըѽըÊíÌõ 2026-03-23 5/250 2026-03-24 16:52 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 284Çóµ÷¼Á +3 yanzhixue111 2026-03-23 6/300 2026-03-23 22:58 by pswait
[¿¼ÑÐ] ½ÓÊÕ2026˶ʿµ÷¼Á(ѧ˶+ר˶) +4 allen-yin 2026-03-23 6/300 2026-03-23 15:04 by Íô£¡£¿£¡
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û