°æ¿éµ¼º½
ÕýÔÚ¼ÓÔØÖÐ...
¿Í»§¶ËAPPÏÂÔØ
ÂÛÎĸ¨µ¼
É격¸¨µ¼
怬
×¢²á
Ìû×Ó
Ìû×Ó
Óû§
Сľ³æÂÛ̳-ѧÊõ¿ÆÑл¥¶¯Æ½Ì¨
»
ÌÔÌû
»
ljzhou86 µÄÌÔÌû
»
µÚÒ»ÐÔÔÀí¼ÆËã¾Ñé
ÍÆ¼öÌÔÌû
¶©ÔÄÊýÅÅÐò
Ö÷ÌâÊýÅÅÐò
×îºó¸üÐÂÅÅÐò
ÎÒµÄÌÔÌû
µÚÒ»ÐÔÔÀí¼ÆËã¾Ñé
+ ´´½¨ÌÔÌûר¼
ÌÔÌû˵Ã÷
ͨ¹ýʵÓ÷½±ãµÄ¡°ÌÔÌû¡±¹¦ÄÜ£¬Äú¿ÉÒÔ°´ÕÕ×Ô¼ºµÄÒâÔ¸£¬°ÑÂÛ̳ÀïÃæµÄ¾«²ÊºÃÌû×Ó·ÖÃűðÀàµÄ½øÐлã×ܺÍÊղأ¬¸ü·½±ã×Ô¼ºÒÔºóµÄä¯ÀÀ£»
ÄúÒ²¿ÉÒÔͨ¹ýä¯ÀÀÆäËûÈË´´½¨µÄÌÔÌûר¼£¬·¢ÏÖÂÛ̳¸ü¶àÓмÛÖµµÄÄÚÈÝ£»
ÄúµÄÌÔÌûר¼£¬±»ËûÈ˶©ÔÄÒ»´Î£¬½«µÃµ½
1¸ö½ð±Ò½±Àø
£¬×î¸ß¿ÉÒÔ»ñµÃ500¸ö½ð±ÒŶ
ר¼ËµÃ÷
±¾×¨¼ÒѾ»ñµÃ 105 ¸ö½ð±Ò½±Àø£¬¸Ðл´´½¨Õß ljzhou86 µÄÐÁÇÚÕûÀí¹¤×÷
¶©ÔÄ´Ëר¼
ÒÑÓÐ 104 È˶©ÔÄ
µÚÒ»ÐÔÔÀí¼ÆËã¾Ñé
https://muchong.com/zhuanji-17317-1
´´½¨ÈË:
ljzhou86
(
¸øÎÒ·¢ÏûÏ¢
|
ËÍTAСºì»¨
)
´´½¨ÓÚ: 2012-05-03 £¬ÒѾÊÕ¼Ö÷Ìâ 112 ¸ö£¬ÓÐ
104 È˶©ÔÄ
µÚÒ»ÐÔÔÀí¼ÆËã¾Ñé
µãÆÀ´Ëר¼
ÍÆ¼öÖ÷Ìâµ½´Ëר¼
¶©ÔÄ´Ëר¼
112
2/4
ÉÏÒ»Ò³
1
2
3
4
ÏÂÒ»Ò³
À´×Ô
±êÌâ
×÷Õß
»Ø/¿´
×îºó·¢±í
µÚÒ»ÐÔÔÀí
ѹµç¼ÆËã-ÊÕ¼¯¼ÆËã·½·¨£¡
Gina88
2013-01-21
5/250
2016-11-14 17:35:41
by
obaica
µÚÒ»ÐÔÔÀí
¡¾ÌÖÂÛ¡¿µÚÒ»ÔÀí¼ÆËã½á¹ûÌÖÂÛ£¨ÏµÁÐÒ»£©
(
1
2
3
4
5
)
(½ð±Ò+5)
3È˲ÎÓë
Wanghui6383
2009-05-09
45/2250
2010-04-09 20:07:21
by
g_xq96
µÚÒ»ÐÔÔÀí
¡¾ÌÖÂÛ¡¿µÚÒ»ÔÀí¼ÆËã½á¹ûÌÖÂÛ£¨ÏµÁжþ£©
(
1
2
3
4
)
(½ð±Ò+10)
1È˲ÎÓë
Wanghui6383
2009-05-12
35/1750
2010-04-06 16:35:55
by
hometownlove
µÚÒ»ÐÔÔÀí
¡¾ÌÖÂÛ¡¿¹ØÓÚÓÃ̬ÃܶÈÀ´¿´Ìåϵ³É¼üµÄÐÔÖÊ
(
1
2
)
(+2)
(½ð±Ò+6)
yzcluster
2009-05-10
52/2600
2010-04-06 16:31:35
by
hometownlove
µÚÒ»ÐÔÔÀí
[¹ØÌù]
¹ØÓڵ¹ú×öDFT¼ÆËãµÄ¿ÎÌâ×é
(
1
2
)
uuv2010
2012-03-30
79/3950
2012-05-13 10:59:57
by
yhtao
µÚÒ»ÐÔÔÀí
ÓÃDFT-D2·½·¨¼ÆËã·¶µÂ»ªÁ¦ºóµÄ½á¹û£¬Ôõô·ÖÎö·¶µÂ»ªÁ¦£¿
(
1
2
)
rainxin2008
2012-12-14
13/650
2016-11-29 07:14:13
by
ÖÜÏÈɻؼÒÁË
µÚÒ»ÐÔÔÀí
¡¾ÇóÖú¡¿PWSCF·Ç¹²Ïß×ÔÐýÔõôÉ趨ѽ?
(½ð±Ò+2)
identation
2010-09-07
3/150
2011-03-04 10:15:42
by
feng.ustc
µÚÒ»ÐÔÔÀí
¾«»ª
I
:
¡¾Ô´´¡¿µÚÒ»ÔÀí¼ÆËãµÄһЩÐĵÃ
(
1
2
3
4
)
(+111.05)
(½ð±Ò+12)
identation
2010-07-04
160/8000
2022-04-27 06:17:55
by
MSС²ËÄñ
µÚÒ»ÐÔÔÀí
¡¾×ªÌû¡¿ÄÜ´øÍ¼µÄ»æÖÆÓë̬Ãܶȳõ²½·ÖÎö£¬ÔÙ´ÎתÌû£¨×ÊÔ´ÖØÐ¸üУ©
(
1
2
3
4
5
6
..
7
)
(½ð±Ò+3)
65È˲ÎÓë
aylayl08
2011-03-28
67/3350
2022-01-07 14:08:37
by
ttwoshipzh
µÚÒ»ÐÔÔÀí
¸÷Ê㼺¼û£ºµÚÒ»ÐÔÔÀíµÄ×òÌì¡¢½ñÌìºÍÃ÷Ì죡£¨½»Á÷»î¶¯£©
(
1
2
)
xueht987
2012-06-12
53/2650
2012-10-21 06:29:25
by
babaleo
µÚÒ»ÐÔÔÀí
¡¾ÇóÖú¡¿VASP ÈçºÎ¿¼ÂÇscalar relativistic effect
(½ð±Ò+2)
jghe
2008-11-24
3/150
2008-11-24 14:53:56
by
jghe
µÚÒ»ÐÔÔÀí
¾«»ª
III
:
¡¾·ÖÏí¡¿ØÍÊÆÀíÂÛ½²×ùPPT£¨×÷ÕßÊdz¬ÈíØÍÊÆµÄÌá³öÕßVanderbilt£©
(
1
2
)
(+34.25)
(½ð±Ò+3)
xirainbow
2009-09-20
50/2500
2015-03-23 07:36:10
by
ccyccxcl
¹¦ÄܲÄÁÏ
[Ô´´]Ò»ÖÖ»ùÓÚÄÜ´ø¼ÆËã½á¹ûµÄÔØÁ÷×ÓÓÐЧÖÊÁ¿¼ÆËã·½·¨
(
1
2
3
4
)
(+97.8001)
(½ð±Ò+2)
Ëï?ª730
2012-04-06
174/8700
2023-04-28 09:31:38
by
votary
µÚÒ»ÐÔÔÀí
½¨Á¢Ê¯Ä«Ï©£¨Graphene£©µÄÄ£ÐÍ
(+14.6)
(½ð±Ò+2)
souledge
2012-01-25
26/1300
2014-04-17 07:13:26
by
ice_burg
Á¿×Ó»¯Ñ§
¡¾ÎÄÏ×ѧϰ¡¿Gaussian¼ÆËã½ü±ßÎüÊÕ¾«Ï¸½á¹¹JACSÂÛÎÄһƪ£¨2012£©
cenwanglai
2012-11-15
3/150
2012-11-15 22:55:16
by
zy54382
µÚÒ»ÐÔÔÀí
¾«»ª
I
:
¡¾Ô´´¡¿ÈçºÎ¼ÆËãÖÐÐÔÔÓÖʵÄÐγÉÄÜ
(
1
2
)
(+27.15)
(½ð±Ò+8)
3È˲ÎÓë
valenhou001
2010-05-22
66/3300
2021-11-23 08:11:23
by
ºÚÍÚ¾ò»ú
µÚÒ»ÐÔÔÀí
·Ç¹²Ïß´ÅÐԵļÆËã²½Öè
(+8.8)
hbl626
2012-09-25
14/700
2016-11-09 16:07:40
by
Ô°ÖÐÔ°
µÚÒ»ÐÔÔÀí
¡¾·ÖÏí¡¿Introduction to DFTB+_accelrys
(
1
2
3
)
(+80.8)
fzx2008
2012-04-28
116/5800
2017-08-25 09:35:57
by
18213818611
¼ÆËãÄ£Äâ
ÀíÂÛ¼ÆËãÎïÀí¼ò½é¼°Ç°¾°
(+10)
(½ð±Ò+5)
zzgyb
2008-01-08
11/550
2008-04-06 10:04:40
by
frankdove
112
2/4
ÉÏÒ»Ò³
1
2
3
4
ÏÂÒ»Ò³
ÇëÆÀ¼Û´Ëר¼£¬¸ÐлÕûÀíÕßµÄÐÁ¿à¹¤×÷:)
ÆÀ¼Ûר¼£º
Ö»ÁôÑÔ
ºÜÓаïÖú(´´½¨Õß½ð±Ò+1)
ÆÀ¼ÛÄÚÈÝ£º
ÍÆ¼öÖ÷Ìâµ½´Ëר¼