| ²é¿´: 2942 | »Ø¸´: 13 | |||
[½»Á÷]
¡¾ÇóÖú¡¿MS-CASTEP¼ÆËã²»ÄܽøÐÐ
|
|||
|
±¾ÈËÔÚÓÃMSÈí¼þµÄCASTEPÄ£¿é¼ÆËãijһÌåϵµÄ²¼¾Ö·Ö²¼Ê±£¬³öÏÖÁËÒ»¸ö¶Ô»°¿ò£¬ÄÚÈÝÈçÏ£¬ Cannot run CASTEP for the given scope (disordered crystal). The following features are not supported: Population analysis ±¾ÈË»¹Ã»ÓÐÈëÃÅ£¬Ï£Íû¸øÎ»´óÏÀÖ¸µãÃÔ½ò¡£ |
» ²ÂÄãϲ»¶
²ÄÁÏר˶322
ÒѾÓÐ7È˻ظ´
Çóµ÷¼Á
ÒѾÓÐ20È˻ظ´
Ò»Ö¾Ô¸Ö£ÖÝ´óѧ085600Çóµ÷¼Á
ÒѾÓÐ20È˻ظ´
»¯Ñ§µ÷¼Á
ÒѾÓÐ17È˻ظ´
3-äåßÁà¤-4-¼×È©ºÏ³É
ÒѾÓÐ9È˻ظ´
Ò»Ö¾Ô¸ÄϾ©º½¿Õº½Ìì´óѧ ²ÄÁÏÓ뻯¹¤329·ÖÇóµ÷¼Á
ÒѾÓÐ3È˻ظ´
285Çóµ÷¼Á
ÒѾÓÐ9È˻ظ´
²ÄÁÏÇóµ÷¼Á
ÒѾÓÐ11È˻ظ´
µ÷¼Á
ÒѾÓÐ8È˻ظ´
²ÄÁϵ÷¼Á
ÒѾÓÐ14È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
MS-CastepÈ~¾GËØ·Ö×ÓÄ£”M
ÒѾÓÐ9È˻ظ´
¾§ÌåÃܶȼÆËãµÄÎÊÌâ
ÒѾÓÐ3È˻ظ´
MS¼ÆËãºó²»ÄÜ·ÖÎö£¬²»ÖªµÀÊǼÆËãÎÊÌ⻹ÊÇʲô
ÒѾÓÐ13È˻ظ´
castep¼ÆËãÅжϲÄÁϵĴÅÐÔ
ÒѾÓÐ13È˻ظ´
MSÈí¼þCASTEP¼ÆËã̬ÃܶÈÎÊÌâ
ÒѾÓÐ11È˻ظ´
MSÖеÄcastepÄ£¿é¼ÆËãFe-MnÌåϵ£¬×ÜÊÇʧ°Ü¡£
ÒѾÓÐ6È˻ظ´
MS Castep½á¹¹ÓÅ»¯ºó£¬+U¼ÆËãÐÔÖÊÊÕÁ²Âý
ÒѾÓÐ3È˻ظ´
CASTEP¼ÆËãÏÂÔØÊ§°ÜÔõô°ì£¿
ÒѾÓÐ22È˻ظ´
MS CASTEP ²»ÄܼÆËã
ÒѾÓÐ8È˻ظ´
¹ØÓÚʹÓÃMSÖеÄCASTEPÈçºÎ¼ÆËãÄÜ´øµÄÎÊÌâ
ÒѾÓÐ9È˻ظ´
MS ÖеÄCASTEP¿ÉÒÔ¼ÆËãÇ¿¹ØÁªÌåϵµÄ¾§Ìå½á¹¹£¨ÈçVO2)Âð£¿
ÒѾÓÐ7È˻ظ´
ÔÚMS5.0ÖеÄCASTEPÖÐGGA£«U¼ÆËãÐÔÖÊÊÇÔõôËãµÄѽ£¿
ÒѾÓÐ12È˻ظ´
¡¾ÇóÖú¡¿ÓÃCASTEP¼ÆËãAgµÄÎüÊÕ¹âÆ×
ÒѾÓÐ8È˻ظ´
¡¾ÇóÖú¡¿castep¼ÆËãÉù×ӯף¬ÎªÊ²Ã´²»ÄܽøÐÐÕñ¶¯·ÖÎö
ÒѾÓÐ9È˻ظ´
¡¾ÇóÖú¡¿Çë½ÌMS CASTEPÄ£¿éÖеÄLDA+U ¼ÆËã
ÒѾÓÐ6È˻ظ´
¡¾ÇóÖú¡¿ÓÃMSÖеÄcastepÄ£¿é¼ÆËã¾§Ìå
ÒѾÓÐ12È˻ظ´
¡¾ÇóÖú¡¿MS4.3ÔÚÔËÐУ¬È´Ò»Ö±Ã»ÓÐCASTEPÕâ¸ö³ÌÐòÔÚ¹¤×÷£¬¼ÆËã½á¹ûÒ²³Ù³Ù²»³öÏÖ¡£¡£¡£¡
ÒѾÓÐ15È˻ظ´
¡¾ÇóÖú³É¹¦¡¿Çë½Ì£ºcastep¼ÆËã½á¹ûÖÐ2*Integrated Spin DensityµÄÒâÒ壿
ÒѾÓÐ10È˻ظ´
¡¾ÇóÖú¡¿MS£µ.£°¡¡Castep ¼ÆËã²»³ö²¿·Ö̬Ãܶȣ¨PDOS£©Ôõô°ì£¿£¨Õ¾ÄÚÓÐÈËÌáÎÊMS4.3£¬Î
ÒѾÓÐ19È˻ظ´
» ÇÀ½ð±ÒÀ²£¡»ØÌû¾Í¿ÉÒԵõ½:
ÖйúʯÓÍ´óѧ£¨±±¾©£© »¯Ñ§¹¤³ÌרҵÕÐ2026¼¶²©Ê¿
+1/475
ÄÆÀë×Óµç³Ø½»Á÷Ìù
+1/93
¹þ¶û±õ¹¤³Ì´óѧºËѧԺÕÐÊÕ1Ãûר˶µ÷¼Á(ÄÜÔ´¶¯Á¦)
+1/77
ºÓÄϹ¤Òµ´óѧ»¯Ñ§»¯¹¤Ñ§Ôº 2026 Äê˶ʿµ÷¼Á»ðÈÈÕýÔÚ½øÐÐÖÐ
+1/41
½Î÷¿Æ¼¼Ê¦·¶´óѧ·ÖÎö»¯Ñ§×¨Òµ¶ÎѧÃñ½ÌÊÚ¿ÎÌâ×éÕÐÆ¸µ÷¼ÁѧÉú
+1/41
ÖйúʯÓÍ´óѧ£¨±±¾©£©ÀíѧԺ2026Äê˶ʿÑо¿Éú½ÓÊÕµ÷¼ÁÉú£ºÎïÀí¡¢»¯Ñ§¡¢²ÄÁϵÈ
+1/12
µçÁ¦È«¹úÖØµãʵÑéÊÒ˫һÁ÷AÀ೤½Ñ§ÕßÍŶÓÕÐ2026ÄêÈ«ÈÕÖÆ²©Ê¿1Ãû£¨4ÔÂ3ÈÕ½ØÖ¹£©
+1/10
Îä¿Æ´óÒ±ÄÜѧԺÕÐÊÕ²ÄÁÏ¡¢Ò±½ð¡¢ÄÜÔ´»·¾³¡¢»úеµÈÏà¹Ø×¨Òµµ÷¼ÁÉú
+1/9
[º¼Öݵç×ӿƼ¼´óѧ]²ÄÁÏѧԺµç³Ø¿ÎÌâ×é-2026Äê˶ʿÑо¿Éúµ÷¼ÁÐÅÏ¢
+1/8
0854,0858µ÷¼ÁÕÐÉú
+1/8
Î÷ÄϿƼ¼´óѧÀîÀÏʦ¿ÎÌâ×鿼ºËÕвÄÁÏ¿ÆÑ§Ó빤³Ìרҵ²©Ê¿Ñо¿Éú£¨ÖÐÎïÔºÁªºÏÅàÑø£©
+1/7
»¯Ñ§Ó뾫ϸ»¯¹¤¹ã¶«Ê¡ÊµÑéÊÒ-ÉÇÍ·´óѧ2026ÄêÁªºÏÅàÑøË¶Ê¿Ñо¿Éúµ÷¼ÁÕÐÉú
+1/6
ÆëÆë¹þ¶û´óѧÀîÀò¿ÎÌâ×é³ÏÕÐ2026¼¶¿¼Ñе÷¼ÁÉú£¨Ñ§Ë¶ºÍר˶£©
+1/6
½Î÷¿Æ¼¼Ê¦·¶´óѧ°½º£Ó½ÌÊÚ¿ÎÌâ×éÕÐÊÕÀíѧ¿¼Ñе÷¼ÁÉú
+1/5
³üÖÝѧԺ0860ÉúÎïÓëҽҩרҵµ÷¼Á57ÈË
+1/5
¸£½¨Àí¹¤´óѧÕÐÊÕרҵ´úÂë08¿ªÍ·Ñ§ÊõÐÍ˶ʿÑо¿Éú
+1/5
Î人·ÄÖ¯´óѧȫ¹úÖØµãʵÑéÊÒÂÀÓÀ¸Ö½ÌÊÚ¿ÎÌâ×éÕÐÊÕ²ÄÁÏ¡¢»¯Ñ§¡¢ÉúÎïÏà¹Ø×¨ÒµË¶Ê¿Ñо¿Éú
+1/5
»ª¶«Ê¦·¶´óѧ-·ÖÎö»¯Ñ§-ÕÐÊÕ1Ãû²©Ê¿Ñо¿Éú (2026Ä꣬µÚ¶þÅú)
+1/4
´óÁ¬Àí¹¤´óѧ¼ÆËã»ú¿ÆÑ§Óë¼¼ÊõѧԺ/È˹¤ÖÇÄÜ·½Ïò2026ÄêÑÐÕе÷¼Á¹«¸æ
+1/4
ÉϺ£Ó¦Óü¼Êõ´óѧ»¯¹¤ÔºÕÐÊÕµ÷¼Á
+1/2
¡ï
zhaostar03(½ð±Ò+4): Êǵģ¬ÔÚÒ»¸öλÖôæÔÚÁ½ÖÖÔªËØ¡£ÅóÓѳöÏÖÕâÖÖÇé¿öÊDz»ÊDz»ÄÜË㲿·Ö̬Ãܶȣ¿ 2011-03-12 10:37:59
sunyang1988(½ð±Ò+1): лл½»Á÷ 2011-03-12 11:00:34
zhaostar03(½ð±Ò+4): Êǵģ¬ÔÚÒ»¸öλÖôæÔÚÁ½ÖÖÔªËØ¡£ÅóÓѳöÏÖÕâÖÖÇé¿öÊDz»ÊDz»ÄÜË㲿·Ö̬Ãܶȣ¿ 2011-03-12 10:37:59
sunyang1988(½ð±Ò+1): лл½»Á÷ 2011-03-12 11:00:34
|
ÎÒ˵µÄÎÞÐò¾§Ìå½á¹¹ÊÇ·Òëdiscordered crystal£¬µ«Ëû»¹ÊÇÊôÓÚÖÜÆÚÐԽṹ¾§Ì壬ÄãËãµÃÌåϵÊDz»ÊÇÔÚijһ¸öλÖôæÔÚÁ½ÖÖÔªËØµÄ£¬ÊǹÌÈÜÌå½á¹¹ |
» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©
7Â¥2011-03-12 09:52:55
¡ï ¡ï
zhang668(½ð±Ò+2): ¶àл½»Á÷ 2011-03-10 18:58:47
zhaostar03(½ð±Ò+2): Ŷ£¬Ð»Ð»Ñ½£¬ÎÒ¼ì²é¼ì²é 2011-03-11 21:30:25
zhaostar03(½ð±Ò+3): 2011-03-11 21:33:21
zhang668(½ð±Ò+2): ¶àл½»Á÷ 2011-03-10 18:58:47
zhaostar03(½ð±Ò+2): Ŷ£¬Ð»Ð»Ñ½£¬ÎÒ¼ì²é¼ì²é 2011-03-11 21:30:25
zhaostar03(½ð±Ò+3): 2011-03-11 21:33:21
| castepÖ»ÄÜÊÊÓÃÓÚÖÜÆÚÐÔÌåϵ£¬disordered crystal--˵Ã÷Ò»µã£ººÜÓпÉÄÜÊÇÄãÔÚÌåϵµÄ½¨Ä£¹ý³ÌÖгöÁËС²î´í£¬Äã¿ÉÒÔ¼ì²éһϾ§Ì彨ģ¹ý³Ì¡£ |
2Â¥2011-03-10 14:22:07
¡ï ¡ï
cenwanglai(½ð±Ò+2): лл»Ø¸´£¡ 2011-03-10 20:08:11
zhaostar03(½ð±Ò+2): ллÌáÐÑ£¬²»¹ýÎÒÒª¼ÆËãµÄÊÇÓÐÐòµÄ¾§Ìå½á¹¹¡£²»¹ýÀïÃæµÄÀë×ӱȽ϶à 2011-03-11 21:33:03
zhaostar03(½ð±Ò+3): 2011-03-11 21:33:31
cenwanglai(½ð±Ò+2): лл»Ø¸´£¡ 2011-03-10 20:08:11
zhaostar03(½ð±Ò+2): ллÌáÐÑ£¬²»¹ýÎÒÒª¼ÆËãµÄÊÇÓÐÐòµÄ¾§Ìå½á¹¹¡£²»¹ýÀïÃæµÄÀë×ӱȽ϶à 2011-03-11 21:33:03
zhaostar03(½ð±Ò+3): 2011-03-11 21:33:31
| ÎÞÐò¾§Ìå½á¹¹²»ÄÜËã²¼¾Ó£¬Ö»ÄÜËãÄÜ´øºÍ̬Ãܶȣ¬ÎÒÒ²Åöµ½¹ý |
3Â¥2011-03-10 19:45:48
4Â¥2011-03-11 11:18:08
|
Can't create job for the server: CASTEP. Failed to connect to the gateway. Please check that the gateway is running and that the network path is established. The following host identifiers were tried: localhost pc2010090717zuv 127.0.0.1 Failed to connect to the gateway. Please check that the gateway is running and that the network path is established. The following host identifiers were tried: (null) |
5Â¥2011-03-11 11:18:40
zzy870720z
ÈÙÓþ°æÖ÷ (ÎÄ̳¾«Ó¢)
- 1STÇ¿Ìû: 3
- Ó¦Öú: 47 (СѧÉú)
- ¹ó±ö: 9.05
- ½ð±Ò: 30914.3
- Ìû×Ó: 12592
- ÔÚÏß: 23567.6Сʱ
- ³æºÅ: 745488
¡ï
gzqdyouxia(½ð±Ò+1): ллÌáʾ 2011-03-11 12:43:10
gzqdyouxia(½ð±Ò+1): ллÌáʾ 2011-03-11 12:43:10
|
Çë¼ì²éÍøÂçÊÇ·ñÕý³££¬Í¬Ê±»¹ÓÐgatewayÊÇ·ñÕý³£¹¤×÷ |
6Â¥2011-03-11 12:39:19
8Â¥2011-03-12 11:21:57
zzy870720z
ÈÙÓþ°æÖ÷ (ÎÄ̳¾«Ó¢)
- 1STÇ¿Ìû: 3
- Ó¦Öú: 47 (СѧÉú)
- ¹ó±ö: 9.05
- ½ð±Ò: 30914.3
- Ìû×Ó: 12592
- ÔÚÏß: 23567.6Сʱ
- ³æºÅ: 745488
¡ï
sunyang1988(½ð±Ò+1): лл½»Á÷ 2011-03-12 14:10:58
sunyang1988(½ð±Ò+1): лл½»Á÷ 2011-03-12 14:10:58
|
¼ÆËãʲô£¬castepÖ»ÄܼÆËãÖÜÆÚ½á¹¹£¬²»ÄܼÆËãÓÐʲô´íÎó£¿ |
9Â¥2011-03-12 14:05:12
¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
| ÇëÎÊÂ¥Ö÷Õâ¸öÎÊÌâÊÇÔõô½â¾öµÄ°¡£¿£¿£¿£¿ÎÒÏÖÔÚÒ²Åöµ½ÏàͬµÄÎÊÌ⣬²¼¾Ö·ÖÎöËã²»ÁË¡£¡£¡£ |
10Â¥2011-09-21 18:52:20
11Â¥2012-12-01 16:54:37
12Â¥2013-05-22 10:44:35
13Â¥2016-01-13 12:58:46
14Â¥2016-01-13 16:15:10














»Ø¸´´ËÂ¥
victorsun