| ²é¿´: 2705 | »Ø¸´: 3 | ||
СÖñ×ÓAA½ð³æ (ÕýʽдÊÖ)
|
[ÇóÖú]
ÔÚÓÃMSÖеÄCASTEPÄ£¿é·ÖÎö²ÄÁϵIJî·ÖµçºÉÃܶÈͼʱimport¼üΪ»ÒÉ« ÒÑÓÐ1È˲ÎÓë
|
| ±¾ÈËÏëÓÃMSÖеÄCASTEPÄ£¿é¼ÆËã¾§ÌåµÄ²î·ÖµçºÉÃܶÈͼ£¬Ê×ÏÈÔڽṹÓÅ»¯µÄ¹ý³ÌÖй´Ñ¡ÁËelectron density differenceÑ¡Ïî²¢µÃµ½Á˽ṹÓÅ»¯µÄ½á¹û£¬È»ºóanalysis--¹´Ñ¡ÆäÖеÄelectron density differenceÑ¡Ïµ«ÊÇImport¼üÊÇ»ÒÉ«µÄ²»ÄÜÑ¡£¬ÓÐûÓдóÏÀÖªµÀÊÇʲôÔÒò£¿ÏÈлл¸÷λÁË~ |
» ²ÂÄãϲ»¶
²ÄÁϵ÷¼Á
ÒѾÓÐ7È˻ظ´
»¯Ñ§¹¤³Ì085602 305·ÖÇóµ÷¼Á
ÒѾÓÐ10È˻ظ´
289Çóµ÷¼Á
ÒѾÓÐ15È˻ظ´
291 Çóµ÷¼Á
ÒѾÓÐ7È˻ظ´
274Çóµ÷¼Á
ÒѾÓÐ14È˻ظ´
±±¾©ÁÖÒµ´óѧ˶µ¼ÕÐÉú¹ã¸æ
ÒѾÓÐ3È˻ظ´
309Çóµ÷¼Á
ÒѾÓÐ5È˻ظ´
292Çóµ÷¼Á
ÒѾÓÐ8È˻ظ´
Çóµ÷¼Á
ÒѾÓÐ4È˻ظ´
Ò»Ö¾Ô¸ Î÷±±´óѧ ×Ü·Ö282 Ó¢ÓïÒ»62 Çóµ÷¼Á
ÒѾÓÐ3È˻ظ´
» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
²î·ÖµçºÉÃܶÈͼµÄÒÉ»ó
ÒѾÓÐ41È˻ظ´
VASP¼ÆËãÊý¾Ý»µçºÉÃܶÈͼ
ÒѾÓÐ12È˻ظ´
MSÀïµçºÉÃܶȲî·ÖͼµÄµ¥Î»ÊÇʲô
ÒѾÓÐ8È˻ظ´
×ܵçºÉÃܶÈͼÄÜ·ÖÎö³öʲô
ÒѾÓÐ13È˻ظ´
VESTA»µçºÉÃܶÈͼµÄÒÉÎÊ
ÒѾÓÐ20È˻ظ´
MSÖÐcastepÄ£¿é ÉèÖÃÁ˼ÆËãPDOS£¬¼ÆËã½áÊøºó£¬²»ÄÜ¿´·Ö²¨Ì¬Ãܶȡ£
ÒѾÓÐ7È˻ظ´
ÄÜ´ø½á¹¹ÖÐ ÖØ´øºÍÇá´ø¶ÔÓ¦µÄµçºÉÃܶÈͼ Ó¦¸ÃÈçºÎ»æÖÆ¡£
ÒѾÓÐ6È˻ظ´
MSÖеÄcastepÄ£¿é¼ÆËãFe-MnÌåϵ£¬×ÜÊÇʧ°Ü¡£
ÒѾÓÐ6È˻ظ´
Ëͺ컨N¶ä£¡MSÔõôµÃ³ö²î·ÖµçºÉÃܶÈͼ£¡
ÒѾÓÐ5È˻ظ´
ms µçºÉÃܶÈ
ÒѾÓÐ9È˻ظ´
[ÇóÖú]¹ØÓÚ̬ÃܶÈͼµÄµ¥Î»ºÍ·ÖÎö
ÒѾÓÐ10È˻ظ´
ÔÚmsµÄcastepÄ£¿éÖмÆËãSnO2µÄµ¥°ûʱ£¬¼ÆËãÍêºóÆä´øÏ¶ºÜС
ÒѾÓÐ9È˻ظ´
Vesta¿ÉÒÔ×ö²î·ÖµçºÉÃܶÈͼÂð£¿
ÒѾÓÐ3È˻ظ´
¡¾ÇóÖú¡¿Ê¹ÓÃcastepÈçºÎ×ö¾§ÃæµÄµçºÉÃܶȷֲ¼Í¼£¿
ÒѾÓÐ21È˻ظ´
¡¾ÇóÖú¡¿Çë½ÌÈçºÎÔÚMS£¬castepÄ£¿éÀïÃæÊµÏÖ¼ÓѹǿÕâÒ»¹¦ÄÜ£¿
ÒѾÓÐ19È˻ظ´
¡¾ÇóÖú¡¿Çë½ÌMS CASTEPÄ£¿éÖеÄLDA+U ¼ÆËã
ÒѾÓÐ6È˻ظ´
¡¾ÇóÖú¡¿ÓÃMSÖеÄcastepÄ£¿é¼ÆËã¾§Ìå
ÒѾÓÐ12È˻ظ´
¡¾ÇóÖú¡¿¼ÆËãµç×ÓÃܶÈͼ¡¾Òѽâ¾ö¡¿
ÒѾÓÐ14È˻ظ´
ѧº£ÀË×Ó
°æÖ÷ (ÎÄ̳¾«Ó¢)
¸ÇÊÀ½çÀË×Ó°àÍ·ÆÕÌìÏÂÉÙÄêÁìÐä
- Ó¦Öú: 8 (Ó×¶ùÔ°)
- ¹ó±ö: 11.116
- ½ð±Ò: 412922
- É¢½ð: 41153
- ºì»¨: 969
- ɳ·¢: 105
- Ìû×Ó: 43806
- ÔÚÏß: 4557.6Сʱ
- ³æºÅ: 1771674
- ×¢²á: 2012-04-22
- ÐÔ±ð: GG
- רҵ: ÎïÀíµç×Óѧ
- ¹ÜϽ: ÎÄÏ×ÇóÖú

2Â¥2015-05-14 19:08:50
ÄäÃû
Óû§×¢Ïú (³õÈëÎÄ̳)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 48
- Ìû×Ó: 13
- ÔÚÏß: 34·ÖÖÓ
- ³æºÅ: 0
- ×¢²á: 2020-04-10
- רҵ: °ëµ¼Ìå¹âµç×ÓÆ÷¼þ
3Â¥2020-04-20 13:06:29
Mars_kang
Ìú³æ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 336.5
- É¢½ð: 20
- Ìû×Ó: 94
- ÔÚÏß: 17.6Сʱ
- ³æºÅ: 30655287
- ×¢²á: 2022-08-17
- רҵ: ΢/ÄÉ»úеϵͳ
4Â¥2024-12-23 23:48:59













»Ø¸´´ËÂ¥
