| ²é¿´: 6764 | »Ø¸´: 5 | |||
gfunctionľ³æ (СÓÐÃûÆø)
|
[ÇóÖú]
ÈçºÎ¼ÆËã¾§Ìå¹ìµÀ¹þÃܶٲ¼¾ÓÊý£¨Crystal Orbital Hamiltonian Population£¬COHP£©£¿ ÒÑÓÐ1È˲ÎÓë
|
|
Éó¸åÈËÒâ¼û£º For interaction mechanism £¬one can use COHP plots, that are implemented in VASP. Please use this routine. ûÓÐÓùýÕâ¸ö£¬Çó¸ßÈËÖ¸µã ![]() |
» ÊÕ¼±¾ÌûµÄÌÔÌûר¼ÍƼö
µÚÒ»ÐÔÔÀí¼ÆËã-tg |
» ²ÂÄãϲ»¶
ÉúÎïѧѧ˶Çóµ÷¼Á
ÒѾÓÐ10È˻ظ´
ÉϺ£µçÁ¦´óѧ²ÄÁÏ·À»¤ÓëвÄÁÏÖØµãʵÑéÊÒÕÐÊÕµ÷¼ÁÑо¿Éú£¨²ÄÁÏ¡¢»¯Ñ§¡¢µç»¯Ñ§£¬»·¾³£©
ÒѾÓÐ4È˻ظ´
²ÄÁÏѧÇóµ÷¼Á
ÒѾÓÐ6È˻ظ´
303Çóµ÷¼Á
ÒѾÓÐ5È˻ظ´
Ò»Ö¾Ô¸ÎäÀí085500»úеרҵ×Ü·Ö300Çóµ÷¼Á
ÒѾÓÐ7È˻ظ´
¿¼Ñе÷¼Á
ÒѾÓÐ4È˻ظ´
281Çóµ÷¼Á
ÒѾÓÐ4È˻ظ´
0805 316Çóµ÷¼Á
ÒѾÓÐ6È˻ظ´
085601Çóµ÷¼Á×Ü·Ö293Ó¢Ò»Êý¶þ
ÒѾÓÐ3È˻ظ´
08¹¤Ñ§µ÷¼Á
ÒѾÓÐ17È˻ظ´
y1ding
Ìú¸Ëľ³æ (ÖøÃûдÊÖ)
- 1STÇ¿Ìû: 1
- Ó¦Öú: 61 (³õÖÐÉú)
- ¹ó±ö: 0.33
- ½ð±Ò: 5959.3
- É¢½ð: 1
- ºì»¨: 21
- Ìû×Ó: 1884
- ÔÚÏß: 491.1Сʱ
- ³æºÅ: 142265
- ×¢²á: 2005-12-21
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
2Â¥2016-03-05 16:11:48
gfunction
ľ³æ (СÓÐÃûÆø)
- Ó¦Öú: 2 (Ó×¶ùÔ°)
- ½ð±Ò: 1549.1
- É¢½ð: 140
- Ìû×Ó: 225
- ÔÚÏß: 169.2Сʱ
- ³æºÅ: 768269
- ×¢²á: 2009-05-12
- ÐÔ±ð: GG
- רҵ: ±íÃæ¡¢ÐÎ̬ÓëÐÎò·ÖÎö
3Â¥2016-03-07 10:37:55
·ëÑǾê
½ð³æ (ÕýʽдÊÖ)
- Ó¦Öú: 15 (СѧÉú)
- ½ð±Ò: 2694.5
- ºì»¨: 7
- Ìû×Ó: 328
- ÔÚÏß: 121.4Сʱ
- ³æºÅ: 2721395
- ×¢²á: 2013-10-13
- ÐÔ±ð: MM
- רҵ: Ô×ӺͷÖ×ÓÎïÀí
4Â¥2016-06-30 16:07:50
·ëÑǾê
½ð³æ (ÕýʽдÊÖ)
- Ó¦Öú: 15 (СѧÉú)
- ½ð±Ò: 2694.5
- ºì»¨: 7
- Ìû×Ó: 328
- ÔÚÏß: 121.4Сʱ
- ³æºÅ: 2721395
- ×¢²á: 2013-10-13
- ÐÔ±ð: MM
- רҵ: Ô×ӺͷÖ×ÓÎïÀí
5Â¥2016-07-01 17:29:06
·ëÑǾê
½ð³æ (ÕýʽдÊÖ)
- Ó¦Öú: 15 (СѧÉú)
- ½ð±Ò: 2694.5
- ºì»¨: 7
- Ìû×Ó: 328
- ÔÚÏß: 121.4Сʱ
- ³æºÅ: 2721395
- ×¢²á: 2013-10-13
- ÐÔ±ð: MM
- רҵ: Ô×ӺͷÖ×ÓÎïÀí
6Â¥2017-03-08 11:10:24














»Ø¸´´ËÂ¥