| ²é¿´: 670 | »Ø¸´: 7 | |||
| µ±Ç°Ö÷ÌâÒѾ´æµµ¡£ | |||
| µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû | |||
[½»Á÷]
4.3ºÍ4.2µÄÇø±ð£¨Ï£Íû²¹³äºÍ¸üÕý£©
|
|||
|
4.3ºÍ4.2µÄÇø±ð 4.3¿ÉÒÔ²»ÐèÒªrootȨÏÞÖ±½Ó°²×°hpmpi£¬ÕâÊǺÍ4.2²»Ò»ÑùµÄµØ·½¡£ Ö»Ð追±´licÎļþ¼´¿É£¬²»Ðèlp_install 4.3µÄÖ´ÐÐλÖÃÓë4.2µÄ²»Í¬£ºAccelrys/MaterialsStudio43/etc/CASTEP£¨ÒÔcastepΪÀý£©¶àÁËÒ»¸öetc 4.3ÐèÒª°²×°DMol3²¹¶¡£¬È¥¹ÙÍøÏÂÔØ¼´¿É¡£²»°²×°²¹¶¡½ö¿ÉÒÔÔÚ08Äê11ÔÂ֮ǰʹÓᣠ4.3¶àÁËÒ»¸öRun.shºÜÓÐÓõĶ«¶«£¬ÎÒ¸Õ¿ªÊ¼Í档ϴθæËß´ó¼Ò¾Ñé¡£ |
» ²ÂÄãϲ»¶
327Çóµ÷¼Á
ÒѾÓÐ11È˻ظ´
08¹¤¿ÆÇóµ÷¼Á290·Ö
ÒѾÓÐ11È˻ظ´
Ò»Ö¾Ô¸985³õÊÔ354·ÖÉúÎïµ÷¼Á
ÒѾÓÐ3È˻ظ´
Ò»Ö¾Ô¸2110£¬»¯Ñ§Ñ§Ë¶310·Ö£¬±¾¿ÆÖصãË«·ÇÇóµ÷¼Á
ÒѾÓÐ13È˻ظ´
353Çóµ÷¼Á
ÒѾÓÐ8È˻ظ´
308Çóµ÷¼Á
ÒѾÓÐ16È˻ظ´
334Çóµ÷¼Á
ÒѾÓÐ14È˻ظ´
Ò»Ö¾Ô¸0807 ÊýÒ»Ó¢Ò» 313 ÓÐûÓжþÂÖµ÷¼Á
ÒѾÓÐ7È˻ظ´
¸´ÊÔµ÷¼Á£¬Ò»Ö¾Ô¸Ö£ÖÝ´óѧ²ÄÁÏÓ뻯¹¤289·Ö
ÒѾÓÐ14È˻ظ´
086000µ÷¼Á
ÒѾÓÐ3È˻ظ´
zhengjinde
ľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 8 (Ó×¶ùÔ°)
- ½ð±Ò: 3641.4
- ºì»¨: 1
- Ìû×Ó: 340
- ÔÚÏß: 39.6Сʱ
- ³æºÅ: 355631
- ×¢²á: 2007-04-25
- ÐÔ±ð: GG
- רҵ: ½á¹¹»¯Ñ§
7Â¥2008-12-19 19:46:10
zhengjinde
ľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 8 (Ó×¶ùÔ°)
- ½ð±Ò: 3641.4
- ºì»¨: 1
- Ìû×Ó: 340
- ÔÚÏß: 39.6Сʱ
- ³æºÅ: 355631
- ×¢²á: 2007-04-25
- ÐÔ±ð: GG
- רҵ: ½á¹¹»¯Ñ§
2Â¥2008-12-19 13:32:55
q68
Ìú¸Ëľ³æ (ÖøÃûдÊÖ)
- Ó¦Öú: 3 (Ó×¶ùÔ°)
- ¹ó±ö: 1.615
- ½ð±Ò: 14835.2
- É¢½ð: 10
- ºì»¨: 3
- Ìû×Ó: 2328
- ÔÚÏß: 149.8Сʱ
- ³æºÅ: 325340
- ×¢²á: 2007-03-17
- ÐÔ±ð: GG
- רҵ: ½ðÊô²ÄÁϵĺϽðÏà¡¢Ïà±ä¼°
3Â¥2008-12-19 13:46:02
zhengjinde
ľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 8 (Ó×¶ùÔ°)
- ½ð±Ò: 3641.4
- ºì»¨: 1
- Ìû×Ó: 340
- ÔÚÏß: 39.6Сʱ
- ³æºÅ: 355631
- ×¢²á: 2007-04-25
- ÐÔ±ð: GG
- רҵ: ½á¹¹»¯Ñ§
¡ï ¡ï
wuchenwf(½ð±Ò+2,VIP+0):¶Ô ȷʵºÃÓÃ
wuchenwf(½ð±Ò+2,VIP+0):¶Ô ȷʵºÃÓÃ
|
ÏÖÔÚ×îа汾ÊÇ4¡£4 castepÀïÍ·ÓÐB3LYP½»»»º¯Êý£¬Óùý¸ß˹µÄÈ˾ÍÖªµÀÕ⺯ÊýÔÚ¼ÆËã´øÏ¶·½ÃæÏ൱ºÃÓà |
4Â¥2008-12-19 17:04:56













»Ø¸´´ËÂ¥