²é¿´: 2526  |  »Ø¸´: 3

preach0519

ľ³æ (СÓÐÃûÆø)

[ÇóÖú] ¹ØÓÚGaussianºÍMaterials StudioµÄCASTEPµÄÇø±ð ÒÑÓÐ1È˲ÎÓë

×î½ü¿´ÎÄÏ× ¿´µ½ÓÐÈËÓÃgaussian ÓÐÈËÓÃMaterials StudioµÄCASTEP¶¼ÄܼÆËãÎïÖʵÄÄÜÁ¿£¬ÇëÎÊÕâÁ½¿îÈí¼þÔÚ¼ÆËã·½ÃæÓÐÊ²Ã´Çø±ð°¡£¿
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

Materials-studio

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

×Ô¼º²ÅÊÇ×î¿¿µÃסµÄÈË£¡
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÔÂÖ»À¶

Ö÷¹ÜÇø³¤ (Ö°Òµ×÷¼Ò)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
preach0519: ½ð±Ò+2, ¡ï¡ï¡ïºÜÓаïÖú 2014-06-27 07:40:10
¾ÝÎÒËùÖª£¬gaussianÊÇרÃÅ×öÁ¿×ÓÁ¦Ñ§µÄÈí¼þ£»¶øCASTEPÊÇÈí¼þMSÖеÄÒ»¸ö»ùÓÚÆ½Ã沨ØÍÊÆµÄÁ¿×ÓÁ¦Ñ§Ä£¿é¡£
Á½¿îÈí¼þ£¨Ä£¿é£©¶¼Ï൱רҵ¡£
MATLAB¡¢MSСÎÊÌâ¡¢ÆÕͨÎÊÌâÇë·¢ÌûÇóÖú£¡Ê±¼ä¾«Á¦ÓÐÏÞ£¬Ë¡²»½ÓÊÜÎÞ³¥Ë½ÐÅÇóÖú¡£
2Â¥2014-06-24 20:40:38
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

preach0519

ľ³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by ÔÂÖ»À¶ at 2014-06-24 20:40:38
¾ÝÎÒËùÖª£¬gaussianÊÇרÃÅ×öÁ¿×ÓÁ¦Ñ§µÄÈí¼þ£»¶øCASTEPÊÇÈí¼þMSÖеÄÒ»¸ö»ùÓÚÆ½Ã沨ØÍÊÆµÄÁ¿×ÓÁ¦Ñ§Ä£¿é¡£
Á½¿îÈí¼þ£¨Ä£¿é£©¶¼Ï൱רҵ¡£

ÄÇÕâÁ½¸öÓи÷ÓÐÊ²Ã´ÌØ³¤Âð£¿ÔÚ¼ÆËã·½Ãæ£¿
×Ô¼º²ÅÊÇ×î¿¿µÃסµÄÈË£¡
3Â¥2014-06-26 07:46:40
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÔÂÖ»À¶

Ö÷¹ÜÇø³¤ (Ö°Òµ×÷¼Ò)

ÒýÓûØÌû:
3Â¥: Originally posted by preach0519 at 2014-06-26 07:46:40
ÄÇÕâÁ½¸öÓи÷ÓÐÊ²Ã´ÌØ³¤Âð£¿ÔÚ¼ÆËã·½Ãæ£¿...

°´ÎÒ¸öÈ˵Ŀ´·¨¶øÑÔ£¬gaussian×öÁ¿×ÓÁ¦Ñ§¸üרҵ£¬¿ÉÈËΪ¿ØÖƵIJÎÊý¸ü¶à°É¡£¶øMS CASTEP ¸ß¶È¼¯³É¡¢´°¿Ú£¬²Ù×÷¼ò±ã£¬Ä£¿éĬÈÏÉèÖòÎÊýÒÑ¿ÉÂú×ã´ó²¿·Ö¼ÆËãÒªÇó¡£
MATLAB¡¢MSСÎÊÌâ¡¢ÆÕͨÎÊÌâÇë·¢ÌûÇóÖú£¡Ê±¼ä¾«Á¦ÓÐÏÞ£¬Ë¡²»½ÓÊÜÎÞ³¥Ë½ÐÅÇóÖú¡£
4Â¥2014-06-26 09:12:31
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ preach0519 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 278Çóµ÷¼Á +3 Yy7400 2026-03-13 3/150 2026-03-17 08:24 by laoshidan
[¿¼ÑÐ] Ò»Ö¾Ô¸£¬¸£ÖÝ´óѧ²ÄÁÏר˶339·ÖÇóµ÷¼Á +3 ľ×ÓmomoÇàÕù 2026-03-15 3/150 2026-03-17 07:52 by laoshidan
[¿¼ÑÐ] 283Çóµ÷¼Á +3 Ìý·ç¾ÍÊÇÓꣻ 2026-03-16 3/150 2026-03-17 07:41 by ÈÈÇéɳĮ
[¿¼ÑÐ] 11408 Ò»Ö¾Ô¸Î÷µç£¬277·ÖÇóµ÷¼Á +3 zhouzhen654 2026-03-16 3/150 2026-03-17 07:03 by laoshidan
[¿¼ÑÐ] ҩѧ383 Çóµ÷¼Á +3 ҩѧchy 2026-03-15 4/200 2026-03-16 20:51 by Ôª×Ó^0^
[¿¼ÑÐ] 321Çóµ÷¼Á +5 ´óÃ×·¹£¡ 2026-03-15 5/250 2026-03-16 16:33 by houyaoxu
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤Çóµ÷¼Á +3 Ϊѧ666 2026-03-16 3/150 2026-03-16 15:09 by ¼ÓºÅ+
[¿¼ÑÐ] 285Çóµ÷¼Á +6 ytter 2026-03-12 6/300 2026-03-16 15:05 by njzyff
[¿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] 344Çóµ÷¼Á +3 knight344 2026-03-16 3/150 2026-03-16 09:42 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 326Çóµ÷¼Á +4 Éϰ¶µÄСÆÏ 2026-03-15 5/250 2026-03-16 08:39 by Linda Hu
[¿¼ÑÐ] 26¿¼ÑÐÒ»Ö¾Ô¸ÖйúʯÓÍ´óѧ(»ª¶«)305·ÖÇóµ÷¼Á +3 ¼ÎÄêÐÂ³Ì 2026-03-15 3/150 2026-03-15 13:58 by ¹þ¹þ¹þ¹þºÙºÙºÙ
[¿¼ÑÐ] 0856ר˶279Çóµ÷¼Á +5 ¼ÓÓͼÓÓÍ£¡? 2026-03-15 5/250 2026-03-15 11:58 by 2020015
[¿¼ÑÐ] ²ÄÁÏ080500µ÷¼ÁÇóÊÕÁô +3 Ò»¿Åmeteor 2026-03-13 3/150 2026-03-14 10:54 by peike
[»ù½ðÉêÇë] ÓбØÒª¸ü»»É걨¿ÚÂð 20+3 fannyamoy 2026-03-11 3/150 2026-03-14 00:52 by zhanghaozhu
[¿¼ÑÐ] 281Çóµ÷¼Á +9 Koxui 2026-03-12 11/550 2026-03-13 20:50 by Koxui
[¿¼ÑÐ] ¿¼Ñе÷¼Á +4 ·Ò´ï46 2026-03-12 4/200 2026-03-13 16:04 by ruiyingmiao
[¿¼ÑÐ] Ò»Ö¾Ô¸211»¯Ñ§Ñ§Ë¶310·ÖÇóµ÷¼Á +8 ŬÁ¦·Ü¶·112 2026-03-12 9/450 2026-03-13 15:41 by JourneyLucky
[¿¼ÑÐ] ²ÄÁÏ301·ÖÇóµ÷¼Á +5 Liyouyumairs 2026-03-12 5/250 2026-03-13 14:42 by JourneyLucky
[¿¼ÑÐ] 308Çóµ÷¼Á +3 ÊÇLupa°¡ 2026-03-12 3/150 2026-03-13 14:30 by Çóµ÷¼Ázz
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û