²é¿´: 674  |  »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
[¿¼²©] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ« +3 5lbyq5wrhb 2026-02-07 3/150 2026-02-08 02:52 by vs90ilomwc
[ÂÛÎÄͶ¸å] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ« +3 3rkserf6qr 2026-02-07 4/200 2026-02-08 02:45 by vs90ilomwc
[˶²©¼ÒÔ°] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ« +3 3rkserf6qr 2026-02-07 3/150 2026-02-08 02:32 by vs90ilomwc
[˶²©¼ÒÔ°] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ« +5 2h7du0nuhk 2026-02-07 5/250 2026-02-08 02:27 by vs90ilomwc
[¿¼²©] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ« +5 2h7du0nuhk 2026-02-07 5/250 2026-02-08 02:25 by vs90ilomwc
[˶²©¼ÒÔ°] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ« +4 2h7du0nuhk 2026-02-07 5/250 2026-02-08 02:12 by vs90ilomwc
[¿¼²©] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ« +4 2h7du0nuhk 2026-02-07 6/300 2026-02-08 02:07 by vs90ilomwc
[½Ìʦ֮¼Ò] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ« +4 2h7du0nuhk 2026-02-07 6/300 2026-02-08 02:05 by vs90ilomwc
[ÕÒ¹¤×÷] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ« +4 2h7du0nuhk 2026-02-07 6/300 2026-02-08 01:46 by vs90ilomwc
[½Ìʦ֮¼Ò] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ« +4 2h7du0nuhk 2026-02-07 7/350 2026-02-08 01:26 by vs90ilomwc
[˶²©¼ÒÔ°] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ« +4 2h7du0nuhk 2026-02-07 7/350 2026-02-08 01:12 by vs90ilomwc
[½Ìʦ֮¼Ò] ÓÐÔºÁ쵼ΪÁË»»Ð³µ£¬ÓúáÏò¿ÎÌâ¾­·ÑÂòÁËÁ©³µ +7 ˲ϢÓîÖæ 2026-02-04 7/350 2026-02-07 21:47 by tfang
[Óлú½»Á÷] õ£°·ÍÑÒÒõ£»ù 10+5 chibby 2026-02-03 12/600 2026-02-07 19:29 by ½­¶«ÏÐÈË
[»ù½ðÉêÇë] ͬÄêÉêÇë2ÏͬÏîÄ¿£¬µÚ1¸öÏîÄ¿ÀﲻдµÚ2¸öÏîÄ¿µÄÐÅÏ¢£¬¿ÉÒÔÂð +4 hitsdu 2026-02-06 4/200 2026-02-07 13:07 by jurkat.1640
[»ù½ðÉêÇë] ÓÐʱºòÕæ¾õµÃ´ó³ÇÊÐÈËûÓÐÏØ³ÇÈËÉõÖÁ¸öÌå»§ÐÒ¸£ +9 ËÕ¶«ÆÂ¶þÊÀ 2026-02-04 10/500 2026-02-07 12:37 by СëÇò
[¿¼²©] Ìì½ò´óѧÕÐ2026.09µÄ²©Ê¿Éú£¬»¶Ó­´ó¼ÒÍÆ¼ö½»Á÷£¨²©µ¼ÊDZ¾ÈË£© +4 a793625982 2026-02-05 5/250 2026-02-07 10:57 by a793625982
[¹«Åɳö¹ú] CSC & MSCA ²©ÂåÄáÑÇ´óѧÄÜÔ´²ÄÁÏ¿ÎÌâ×鲩ʿ/²©Ê¿ºóÕÐÉú£üMSCA¾­·Ñ³ä×ã¡¢ÅÅÃûÓÅ +4 ÓêÄî 2026-02-01 6/300 2026-02-06 23:32 by MelissaPon
[»ù½ðÉêÇë] ÃæÉÏÏîÄ¿É걨 +3 Tide man 2026-02-01 3/150 2026-02-05 22:56 by god_tian
[˶²©¼ÒÔ°] ²©Ê¿ÑÓµÃÎÒ£¬¿ÆÑÐÄÜÁ¦Ö±ÍùÉÏ´Ú +7 Æ«ÕñƬ 2026-02-02 7/350 2026-02-04 17:36 by ³ÂÊϵ۹ú
[½Ìʦ֮¼Ò] Óö¼û²»Ê¡ÐĵļÒÈ˺ÜÄѹý +18 otani 2026-02-03 22/1100 2026-02-04 11:06 by tangmnt
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û