²é¿´: 3595  |  »Ø¸´: 18
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

QQQ9589

Òø³æ (СÓÐÃûÆø)

[½»Á÷] ¡¾ÇóÖú¡¿CASTEP·þÎñÆ÷µ¯ÐÔ³£ÊýµÄ¼ÆËã ÒÑÓÐ14È˲ÎÓë

ÔÚ±¾µØ»úÉϼÆË㵯ÐÔ³£Êýʱ¿ÉÒÔÔÚ¼ÆËã³öÀ´µÄ.castep½á¹ûÎļþ½øÐзÖÎöµÃ³öµ¯ÐÔ³£ÊýµÄ.txtÎļþ£¬µ«ÊÇÔÚÔ¶¶ËµÄ·þÎñÆ÷ÉϼÆË㵯ÐÔ³£Êý£¬²»ÄÜÖ±½Ó¸ø³ö¼Ç¼µ¯ÐÔ³£Êý¼ÆËã½á¹ûµÄ.txtÎļþ£¬ÔõÑù²ÅÄÜ¿´µ½µ¯ÐÔ³£ÊýÄØ£¿Ð»Ð»£¡
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

QQQ9589

Òø³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Originally posted by QQQ9589 at 2010-04-16 20:35:07:
ÔÚ±¾µØ»úÉϼÆË㵯ÐÔ³£Êýʱ¿ÉÒÔÔÚ¼ÆËã³öÀ´µÄ.castep½á¹ûÎļþ½øÐзÖÎöµÃ³öµ¯ÐÔ³£ÊýµÄ.txtÎļþ£¬µ«ÊÇÔÚÔ¶¶ËµÄ·þÎñÆ÷ÉϼÆË㵯ÐÔ³£Êý£¬²»ÄÜÖ±½Ó¸ø³ö¼Ç¼µ¯ÐÔ³£Êý¼ÆËã½á¹ûµÄ.txtÎļþ£¬ÔõÑù²ÅÄÜ¿´µ½µ¯ÐÔ³£ÊýÄØ£¿Ð»Ð»£¡

Êǰ¡£¬µ«ÊÇÏÖÔÚ·þÎñÆ÷ÉϼÆËãµÄ.castepÎļþµ¼Èëµ½±¾µØ»úÉϲ»¿ÉÒÔ·ÖÎö°¡£¬Óкü¸¸ö²»Í¬µ¯ÐÔ³£ÊýµÄ.castepÎļþ£¬ÔÚ·þÎñÆ÷ÉϼÆËã³öÀ´ºÜ¶à¸öÊä³öÎļþ£¬²»ÖªµÀ¸Ãµ¼ÈëÄÄЩ²ÅÄÜ·ÖÎö°¡
3Â¥2010-04-25 18:48:23
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 19 ¸ö»Ø´ð

acridine

ľ³æ (ÕýʽдÊÖ)

¡ï ¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
aylayl08(½ð±Ò+2):лл»Ø¸´½âÊÍ 2010-09-15 15:14:05
±¾µØ¼ÆËãµÄ.txt¼ÆËãÒ²²¢·ÇÖ±½ÓµÃµ½µÄ°É...
²»¹ÜÊÇ·þÎñÆ÷»¹ÊDZ¾µØ¼ÆË㣬¶¼Í¬ÑùÊÇÔÚ¼ÆËã³öÀ´µÄ.castep½á¹ûÎļþ½øÐзÖÎö²ÅÄܵóöµ¯ÐÔ³£ÊýµÄ.txt°¡
2Â¥2010-04-16 21:06:27
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

wanglianli136

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

¡ï ¡ï ¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
aylayl08(½ð±Ò+3):лл£¬ºÜ×Ðϸ 2010-09-15 15:14:26
ÒýÓûØÌû:
Originally posted by QQQ9589 at 2010-04-25 18:48:23:


Êǰ¡£¬µ«ÊÇÏÖÔÚ·þÎñÆ÷ÉϼÆËãµÄ.castepÎļþµ¼Èëµ½±¾µØ»úÉϲ»¿ÉÒÔ·ÖÎö°¡£¬Óкü¸¸ö²»Í¬µ¯ÐÔ³£ÊýµÄ.castepÎļþ£¬ÔÚ·þÎñÆ÷ÉϼÆËã³öÀ´ºÜ¶à¸öÊä³öÎļþ£¬²»ÖªµÀ¸Ãµ¼ÈëÄÄЩ²ÅÄÜ·ÖÎö°¡

ËùÓеÄcastepÎļþ¶¼ÐèÒª£¬ÒòΪÄãÿһ¸öÓ¦±äģʽµÄÿһ²½Ó¦±ä¶¼ÓÐÒ»´Î¼ÆËãÓ¦Á¦µÄ¹ý³Ì£¬¶øµ¯ÐÔ³£ÊýµÄ¼ÆËã¾ÍÊÇËùÓÐÓ¦±äϵÄÓ¦Á¦¾ØÕó×öÒ»¸öÊýѧ×ܽᣬ¾ÍÊÇÈ¡³ö¶ÔÓ¦µÄÓ¦±äºÍÓ¦Á¦£¬È¥ÄâºÏÖ±Ïߣ¬È¡Ö±ÏßбÂÊ×÷ΪµÄ¸ºÖµ×÷Ϊµ¯ÐÔ³£Êý¡£Ò²¾ÍÊÇÔÚ·ÖÎöµÄʱºòÄã±ØÐë¾ßÓУº
±ÈÈçÊÇAÌåϵ
A.CASTEP
A_cij_1_1.castep
A_cij_1_2.castep
...
ÕâЩÎļþ¶¼ÓÐÁË£¬ÄãÖ»Òª´ò¿ªA.CASTEPÎļþ¾Í¿ÉÒÔ·ÖÎöÁË
4Â¥2010-09-15 09:54:35
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ylli

ľ³æ (СÓÐÃûÆø)

ͬÒâÂ¥ÉÏ.

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
zzy870720z(½ð±Ò+1):лл½¨Òé 2010-09-15 22:12:45
¶ÔÓÚµ¯ÐÔ³£ÊýµÄ¼ÆËãÔ­Àí,½¨Òé¿´ÏÂÏà¹ØÀíÂÛ. Õâ¸ö¶ÔÓÚÀí½âÎÊÌâ,·Ç³£ÖØÒª.
5Â¥2010-09-15 20:58:46
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ҩѧ383 Çóµ÷¼Á +3 ҩѧchy 2026-03-15 4/200 2026-03-16 20:51 by Ôª×Ó^0^
[¿¼ÑÐ] »úеר˶325£¬Ñ°ÕÒµ÷¼ÁԺУ +3 y9999 2026-03-15 5/250 2026-03-16 19:58 by y9999
[¿¼ÑÐ] »·¾³¹¤³Ìµ÷¼Á +6 ´ó¿Édigkids 2026-03-16 6/300 2026-03-16 17:16 by barlinike
[¿¼ÑÐ] 326Çóµ÷¼Á +4 ŵ±´¶û»¯Ñ§½±êéê 2026-03-15 7/350 2026-03-16 17:11 by ŵ±´¶û»¯Ñ§½±êéê
[¿¼ÑÐ] 304Çóµ÷¼Á +5 ËØÄê¼ÀÓï 2026-03-15 5/250 2026-03-16 17:00 by ÎҵĴ¬Îҵĺ£
[¿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] 294Çóµ÷¼Á +3 Zys010410@ 2026-03-13 4/200 2026-03-15 10:59 by zhq0425
[¿¼ÑÐ] 328Çóµ÷¼Á +3 5201314Lsy£¡ 2026-03-13 6/300 2026-03-14 15:31 by hyswxzs
[¿¼ÑÐ] 331Çóµ÷¼Á£¨0703Óлú»¯Ñ§ +5 ZY-05 2026-03-13 6/300 2026-03-14 10:51 by Jy?
[»ù½ðÉêÇë] ÓбØÒª¸ü»»É걨¿ÚÂð 20+3 fannyamoy 2026-03-11 3/150 2026-03-14 00:52 by zhanghaozhu
[¿¼ÑÐ] 308Çóµ÷¼Á +3 ÊÇLupa°¡ 2026-03-10 3/150 2026-03-14 00:30 by JourneyLucky
[¿¼ÑÐ] 332Çóµ÷¼Á +3 zjy101327 2026-03-11 6/300 2026-03-13 22:48 by JourneyLucky
[¿¼ÑÐ] 337Ò»Ö¾Ô¸»ªÄÏÀí¹¤0805²ÄÁÏÇóµ÷¼Á +7 mysdl 2026-03-11 9/450 2026-03-13 22:43 by JourneyLucky
[¿¼ÑÐ] 304Çóµ÷¼Á +6 Mochaaaa 2026-03-12 7/350 2026-03-13 22:18 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 336Çóµ÷¼Á +6 Iuruoh 2026-03-11 6/300 2026-03-13 22:06 by JourneyLucky
[¿¼ÑÐ] 281Çóµ÷¼Á +9 Koxui 2026-03-12 11/550 2026-03-13 20:50 by Koxui
[¿¼ÑÐ] 26µ÷¼Á/²ÄÁÏ¿ÆÑ§Ó빤³Ì/×Ü·Ö295/ÇóÊÕÁô +9 2026µ÷¼ÁÏÀ 2026-03-12 9/450 2026-03-13 20:46 by 18595523086
[¿¼ÑÐ] 308Çóµ÷¼Á +3 ÊÇLupa°¡ 2026-03-12 3/150 2026-03-13 14:30 by Çóµ÷¼Ázz
[¿¼ÑÐ] 296Çóµ÷¼Á +3 ´ó¿Ú³Ô·¹ ÉíÌ彡 2026-03-13 3/150 2026-03-13 10:31 by ѧԱ8dgXkO
[¿¼ÑÐ] 08ʳƷ»òÇṤÇóµ÷¼Á£¬±¾¿Æ·¢±í3ƪsciÒ»ÇøtopÂÛÎÄ£¬Ò»Ö¾Ô¸ÄÏʦ´óʳƷ¿ÆÑ§Ó빤³Ì +3 ÎÒÊÇÒ»¸ö±ø£¬ 2026-03-10 3/150 2026-03-13 10:21 by Yuyi.
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û