| ²é¿´: 1464 | »Ø¸´: 8 | |||||
| µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû | |||||
¼×ì³Ö®»¢Òø³æ (ÕýʽдÊÖ)
|
[ÇóÖú]
Çë½Ì¸÷λǰ±²£¬Îü¸½¸ß¶È·ûºÏÎÄÏ×£¬Îü¸½»ùµ×µÄ±äÐÎÁ¿Ô¶Ð¡ÓÚÎÄÏ×£¿
|
||||
|
×î½üÔÚ×öʯīϩÎü¸½¼î½ðÊô£¬Îü¸½¸ß¶ÈºÍÎÄÏ׸߶ÈÏà·û£¬µ«ÊÇʯīϩµÄ±äÐÎÁ¿È´Ô¶Ô¶Ð¡ÓÚÎÄÏ×£¬ÇëÎÊÕâÊÇʲôÔÒòÔì³ÉµÄÄØ£¿Çë¸÷λǰ±²²»Áß´Í½Ì [ À´×ÔС×é ʯīϩ ] |
» ÊÕ¼±¾ÌûµÄÌÔÌûר¼ÍƼö
Ñõ»¯Ê¯Ä«Ï©£¨Graphene Oxide£© |
» ²ÂÄãϲ»¶
211±¾£¬11408Ò»Ö¾Ô¸ÖпÆÔº277·Ö£¬ÔøÔÚÖпÆÔº×Ô¶¯»¯Ëùʵϰ
ÒѾÓÐ7È˻ظ´
26É격
ÒѾÓÐ3È˻ظ´
Çóµ÷¼Á£¬×Ü·Ö315£¬¿¼µÄÉúÎïÒ½Ò©£¬Ò»Ö¾Ô¸ºþÄÏʦ·¶´óѧ¡£µ÷¼Áµ½ÈκÎרҵ¶¼¿ÉÒÔ
ÒѾÓÐ3È˻ظ´
²ÄÁÏר˶306Ó¢Ò»Êý¶þ
ÒѾÓÐ7È˻ظ´
²ÄÁϹ¤³Ìר˶274Ò»Ö¾Ô¸211Çóµ÷¼Á
ÒѾÓÐ6È˻ظ´
Ò»Ö¾Ô¸ÄϾ©´óѧ£¬080500²ÄÁÏ¿ÆÑ§Ó빤³Ì£¬µ÷¼Á
ÒѾÓÐ4È˻ظ´
332Çóµ÷¼Á
ÒѾÓÐ5È˻ظ´
271Çóµ÷¼Á
ÒѾÓÐ14È˻ظ´
275Çóµ÷¼Á
ÒѾÓÐ4È˻ظ´
302Çóµ÷¼Á
ÒѾÓÐ8È˻ظ´
» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
ÂÛÎÄ´óÐÞ£¬Éó¸åÈËÌá³öµÄÒ»¸öÎÊÌ⣬Çë¸÷λ°ïæÌṩÎÄÏ×Ö§³Å¡£Ð»Ð»£¡
ÒѾÓÐ4È˻ظ´
Áù¼Û¸õÎü¸½ÎÊÌâ
ÒѾÓÐ13È˻ظ´
ÇóÖúÍøÉÏ¡¶Îü¸½¼ÁÖп×϶½á¹¹¼°±È±íÃæµÄ±íÕ÷½âÎö¡·³ö×ÔµÄÔÎÄÏ×
ÒѾÓÐ1È˻ظ´
ÇóÖúһƪÎÄÏ×ÊǹØÓÚ¹ØÓÚ±äѹÎü¸½ÍÑ̼²¢Í¬Ê±ÖÆÈ¡´¿CO2×°ÖõŤÒÕÁ÷³Ì
ÒѾÓÐ6È˻ظ´
Ë®·Ö×ÓÔÚͱíÃæµÄÎü¸½£¬¸úÎÄÏ×½á¹û²»Ò»ÖÂ
ÒѾÓÐ10È˻ظ´
¼±ÇóÔÚfcc½á¹¹ÖУ¬HÔ×Ó¸üÇãÏòÓëÎü¸½ÔÚ°ËÃæÌå¼ä϶µÄÍâÎÄÊé¼®»òÎÄÏ×
ÒѾÓÐ4È˻ظ´
Æû³µÎ²Æø¾»»¯´ß»¯¼Á£¬ÇóÍÆ¼öȨÍþÊé¼®£¬×ÛÊö£¬ÎÄÏ×£¬»òÕßÔÔò£¬Ï£Íûǰ±²Ö¸Ö¸´ó·½Ïò
ÒѾÓÐ10È˻ظ´
ÇóÅòÈóÍÁÎü¸½¼Á¹¤ÒÕÓ¦ÓÃÏà¹ØÎÄÏ×
ÒѾÓÐ3È˻ظ´
½ðÊôÀë×ÓÎü¸½ÎÄÏ×£¨ºÜºÃµÄ×ÛÊö£©
ÒѾÓÐ60È˻ظ´
Ñõ»¯ÂÁ×÷ΪÎü¸½¼ÁµÄÖù²ãÎö
ÒѾÓÐ6È˻ظ´
ÇëÎÊÎü¸½Óë½âÎö·½ÃæÄĸöÆÚ¿¯µÄÎÄÏױȽϺ𡣿
ÒѾÓÐ3È˻ظ´
¡¾Çë½Ì¡¿ÄÉÃ×½ð DNAÐÞÊÎ
ÒѾÓÐ26È˻ظ´
¡¾ÇóÖú¡¿Çë½ÌÄÄλ»áIAST·½·¨Ô¤²â¶à×é·ÖÆøÌåÎü¸½µÄ¸÷×é·ÖµÄÎü¸½Á¿¼°Îü¸½Ñ¡ÔñÐÔ£¿
ÒѾÓÐ8È˻ظ´

jpchou
ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)
-

ר¼Ò¾Ñé: +20 - 1STÇ¿Ìû: 5
- Ó¦Öú: 231 (´óѧÉú)
- ½ð±Ò: 2342
- É¢½ð: 4367
- ºì»¨: 103
- Ìû×Ó: 1061
- ÔÚÏß: 757.3Сʱ
- ³æºÅ: 585915
- ×¢²á: 2008-08-08
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
- ¹ÜϽ: µÚÒ»ÐÔÔÀí
|
??......................... ??????@???? ????????????Y?????§á?????? ????f~ "?¨©???????????§³??????" ?h§³?~???h?????e?? ?¨©I???????? "?????????" ~ ????? ????N?? ???????????¨©????????¦Ë?? (atop, bridge, hollow)?? ?¨©I???????????????¦Ë???? |
4Â¥2013-11-02 23:59:30
jpchou
ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)
-

ר¼Ò¾Ñé: +20 - 1STÇ¿Ìû: 5
- Ó¦Öú: 231 (´óѧÉú)
- ½ð±Ò: 2342
- É¢½ð: 4367
- ºì»¨: 103
- Ìû×Ó: 1061
- ÔÚÏß: 757.3Сʱ
- ³æºÅ: 585915
- ×¢²á: 2008-08-08
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
- ¹ÜϽ: µÚÒ»ÐÔÔÀí
¡¾´ð°¸¡¿Ó¦Öú»ØÌû
¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
¼×ì³Ö®»¢: ½ð±Ò+5, ¡ï¡ï¡ïºÜÓаïÖú 2013-11-02 20:02:31
liliangfang: ½ð±Ò+1, лл½»Á÷ 2013-11-03 10:19:38
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
¼×ì³Ö®»¢: ½ð±Ò+5, ¡ï¡ï¡ïºÜÓаïÖú 2013-11-02 20:02:31
liliangfang: ½ð±Ò+1, лл½»Á÷ 2013-11-03 10:19:38
|
1. Pseudopotential inconsistent 2. ENCUT not enough |
2Â¥2013-11-02 17:32:22
¼×ì³Ö®»¢
Òø³æ (ÕýʽдÊÖ)
- Ó¦Öú: 60 (³õÖÐÉú)
- ½ð±Ò: 302.3
- É¢½ð: 220
- ºì»¨: 7
- Ìû×Ó: 970
- ÔÚÏß: 465Сʱ
- ³æºÅ: 2273045
- ×¢²á: 2013-02-03
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
|
???????????????????????????x???????? 1.???Pseudopotential???x?????¨©I???x??????Pseudopotential???????????Pseudopotential???N????N?¨¶??Pseudopotential????N???d???????§à?B??????Pseudopotential?J??d??????r?????????????C??????Pseudopotential??????????????????NPseudopotential??M??????C???l?F?Y?????]?????????? 2.ENCUT not enough??????¨©I?o??ENCUT?_?????X??§³??????C????Y??INCAR?§£??¨²???????ENCUT??????????ENCUT??????????????????ENCUT????????????????????Y????????????????????????]?§µ????? |

3Â¥2013-11-02 20:02:19
JuneLaue
½ð³æ (ÕýʽдÊÖ)
- Ó¦Öú: 5 (Ó×¶ùÔ°)
- ½ð±Ò: 1389.3
- ºì»¨: 3
- Ìû×Ó: 723
- ÔÚÏß: 45.7Сʱ
- ³æºÅ: 2694288
- ×¢²á: 2013-10-01
- רҵ: Á÷ÌåÁ¦Ñ§
¡¾´ð°¸¡¿Ó¦Öú»ØÌû
¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
liliangfang: ½ð±Ò+2, лл½»Á÷ 2013-11-03 10:19:48
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
liliangfang: ½ð±Ò+2, лл½»Á÷ 2013-11-03 10:19:48
| ÑéÖ¤Ò»ÏÂÎÄÏ×À´Ô´²»¿É¿¿£¬ºÜ¶à²»ÈëÁ÷µÄÎÄÏ×ÊǸøÇ®¾ÍÄÜͶµÄ£¬ÆÀÖ°³ÆÓõģ»È¨ÍþÎÄÏ׵ϰ£¬Äã±È¶ÔһϲâÊÔÌõ¼þÓÐÄÄЩ ³öÈ룬ÔÙ×ö·ÖÎö£¡ |
5Â¥2013-11-03 00:03:03













»Ø¸´´ËÂ¥
