±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 8160  |  »Ø¸´: 20

09njtpw

Ìú¸Ëľ³æ (Ö°Òµ×÷¼Ò)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÕâôºÃµÄÌù²»Òª³ÁÁË¡£¡£¡£
11Â¥2012-03-07 14:58:43
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

wujing110

½û³æ (ÕýʽдÊÖ)

±¾ÌûÄÚÈݱ»ÆÁ±Î

12Â¥2012-03-07 15:46:21
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

egogg

ľ³æ (СÓÐÃûÆø)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
vasp·Ö×Ó¶¯Á¦Ñ§µÄÔ­×ӹ켣£¨¶¯»­£©¿ÉÒÔÓÃVMDÀ´¿´£¬¶øÇÒVMDÀïÃæÒ²¿ÉÒÔÓÃÏàÓ¦µÄÃüÁîÌáȡԭ×Ó×ø±ê¡¢¼ü³¤±ä»¯µÈµÈÐÅÏ¢¡£
VMD£º
File->New Molecule->´ò¿ªOUTCAR/POSCAR/CHGCAR/XDATACAR/PARCHGÎļþ£¬Ñ¡Ôñ¶ÔÓ¦µÄÎļþ¸ñʽ£¬µã»÷Load¾Í¸ã¶¨ÁË¡£

ÆäËûÊý¾ÝÔÚ¶ÔÓ¦µÄÎļþÀïÓýű¾ÃüÁîÌáÈ¡³öÀ´¾ÍÐÐÁË¡£

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

13Â¥2012-03-07 17:13:08
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

onion2440

Òø³æ (ÕýʽдÊÖ)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
¶¥Ò»¸ö£¬Â¥Ö÷´ó´ó£¬Ð¡³æÄ¤°Ý
14Â¥2012-07-23 08:50:47
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

blueybz

ľ³æ (ÕýʽдÊÖ)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ËÍÏÊ»¨Ò»¶ä
ÒýÓûØÌû:
1251088Â¥: Originally posted by egogg at 2012-03-07 17:13:08
vasp·Ö×Ó¶¯Á¦Ñ§µÄÔ­×ӹ켣£¨¶¯»­£©¿ÉÒÔÓÃVMDÀ´¿´£¬¶øÇÒVMDÀïÃæÒ²¿ÉÒÔÓÃÏàÓ¦µÄÃüÁîÌáȡԭ×Ó×ø±ê¡¢¼ü³¤±ä»¯µÈµÈÐÅÏ¢¡£
VMD£º
File->New Molecule->´ò¿ªOUTCAR/POSCAR/CHGCAR/XDATACAR/PARCHGÎļþ£¬Ñ¡Ôñ¶ÔÓ¦µÄ ...

ÇëÎÊ£¬Äܽ²½² Ôõô°Ñ¹ì¼£µÄ×ø±êÊä³öÀ´Âð£¿
15Â¥2012-11-03 02:37:41
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

egogg

ľ³æ (СÓÐÃûÆø)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
1282173Â¥: Originally posted by blueybz at 2012-11-03 02:37:41
ÇëÎÊ£¬Äܽ²½² Ôõô°Ñ¹ì¼£µÄ×ø±êÊä³öÀ´Âð£¿...

vmdÖУ¬Ñ¡Öй켣Îļþ£¬ÓÒ¼ü-¡·±£´æ×ø±ê-¡·È»ºóÑ¡ÔñÐèÒªµ¼³öµÄÖ¡¼°Îļþ¸ñʽ£¬±£´æ¾ÍÐÐÁË¡£
ÎÒÒ»°ãÊǵ¼³öÐèÒªµÄÄÇһ֡Ϊpdb£¬È»ºóµ¹Èëµ½msÖУ¬Öؽ¨¾§Ìå¾Í¿ÉÒÔ»Ö¸´¾§Ìå½á¹¹Êý¾ÝÁË¡£
16Â¥2012-11-03 12:09:40
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

jizw0704

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÎÒ×î½üÒ²ÔÚÓÃVASP×öMD£¬ÏÖÔÚÒ²Â½Ðø¼ÆËã½éÉÜÁË£¬µ«²»ÖªµÀÈçºÎ·ÖÎö£¬ÎÒ²éÔÄÁËÒ»ÏÂÎÄÏ×£¬´ó¼ÒºÃÏñ¶¼ÔÚÌÖÂÛ£¬¾¶Ïò·Ö²¼º¯Êý£¬Bond angle distributions£¬Mean-squared displacementµÈ£¬¾ÍÊDz»ÖªµÀÈçºÎ·ÖÎö£¬Çó¸ßÊÖ°¡
×î°®¡ª¡ªÓðëÇò
17Â¥2013-01-04 16:05:33
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

jizw0704

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
¶ÔÓÚVASP×öMDµÄ½á¹ûµÄ´¦ÀíÖУ¬¾¶Ïò·Ö²¼º¯Êý£¬ÎÒÀûÓõÄÊÇVMDÈí¼þ£¬¸ÃÈí¼þÖØÒª¶ÁÈ¡µÄÊÇVASPÅÜÍêMDºóµÄvasprun.xmlÎļþ£¬Ê×ÏȽ«vasprun.xmlÎļþLoadµ½VMDÖУ¨File-New Molecule-Browse-Load£©£¬È»ºóÔÚVMDµÄÖ÷²Ù×÷½çÃæÑ¡ÔñExtensions-Analysis-Radial Pair Distribution Function g£¨r),¾Í¿ÉÒÔÁË£¬ÊÔÊÔ¿´£¬ÍûÓаïÖú£¡£¡
×î°®¡ª¡ªÓðëÇò
18Â¥2013-01-15 10:12:58
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

jfyh2008

Ìú³æ (³õÈëÎÄ̳)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
18Â¥: Originally posted by jizw0704 at 2013-01-15 10:12:58
¶ÔÓÚVASP×öMDµÄ½á¹ûµÄ´¦ÀíÖУ¬¾¶Ïò·Ö²¼º¯Êý£¬ÎÒÀûÓõÄÊÇVMDÈí¼þ£¬¸ÃÈí¼þÖØÒª¶ÁÈ¡µÄÊÇVASPÅÜÍêMDºóµÄvasprun.xmlÎļþ£¬Ê×ÏȽ«vasprun.xmlÎļþLoadµ½VMDÖУ¨File-New Molecule-Browse-Load£©£¬È»ºóÔÚVMDµÄÖ÷²Ù×÷½çÃæÑ¡ ...

ÇëÎÊÎÒ²ÉÓÃÕâÖÖ·½·¨¼ÆËãµÄg(r)¶¼Îª0ÊÇÔõô»ØÊ£¬¶øÇÒ¼ÆËãºóҲûÓÐÏÔʾRDFµÄͼ±ê£¬Ê²Ã´Çé¿ö£¿Çë°ïæ½â´ðÒ»ÏÂ
19Â¥2014-05-22 20:41:38
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

jizw0704

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
19Â¥: Originally posted by jfyh2008 at 2014-05-22 20:41:38
ÇëÎÊÎÒ²ÉÓÃÕâÖÖ·½·¨¼ÆËãµÄg(r)¶¼Îª0ÊÇÔõô»ØÊ£¬¶øÇÒ¼ÆËãºóҲûÓÐÏÔʾRDFµÄͼ±ê£¬Ê²Ã´Çé¿ö£¿Çë°ïæ½â´ðÒ»ÏÂ...

ͬѧ£¬ÄãºÃ£¬
¸ù¾ÝÄãÌṩµÄÐÅÏ¢£¬ÎÒ×ö²»³öÈκηÖÎö£¬²»ºÃÒâ˼¹þ
×£ºÃ£¡
×î°®¡ª¡ªÓðëÇò
20Â¥2014-05-23 13:46:06
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ cenwanglai µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸Ö£ÖÝ´óѧ085600Çóµ÷¼Á +17 ³ÔµÄ²»ÉÙ 2026-04-05 20/1000 2026-04-06 00:32 by T¿É¿ÉÎ÷ÀïT
[¿¼ÑÐ] 302·ÖÇóµ÷¼Á Ò»Ö¾Ô¸°²»Õ´óѧ085601 +8 zyxÉϰ¶£¡ 2026-04-04 8/400 2026-04-05 23:08 by lbsjt
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©½»Í¨´óѧ²ÄÁϹ¤³Ì×Ü·Ö358Çóµ÷¼Á +4 cs0106 2026-04-04 4/200 2026-04-05 18:46 by imissbao
[¿¼²©] É격 +7 IQwQl 2026-04-04 7/350 2026-04-04 23:32 by mumin1990
[¿¼ÑÐ] ±¾¿Æ211£¬×¨Òµ085404£¬293·ÖÇëÇóµ÷¼Á +5 Á«²Ë¾ÍÊÇź°É 2026-04-04 5/250 2026-04-04 14:08 by ÕâÊÇÒ»¸öÎÞÁĵÄê
[¿¼ÑÐ] ²ÄÁÏ¿ÆÑ§Ó빤³Ì¿¼ÑÐ +10 Õü¾ÈÆ¤ÌØÍÐÏÈÉú 2026-04-02 10/500 2026-04-03 23:57 by userper
[¿¼ÑÐ] ¿¼ÑÐÇóµ÷¼Á +3 ľÐÄÏë¼ÌÐøÉîÔì 2026-04-03 3/150 2026-04-03 21:56 by à£à£à£0119
[¿¼ÑÐ] 0856£¬269·ÖÇóµ÷¼Á +15 ÓÐѧÉϾÍÐÐÇóÇóÁ 2026-03-30 18/900 2026-04-03 16:50 by melodiousnow
[¿¼ÑÐ] 085801 ×Ü·Ö275 ±¾¿ÆÐÂÄÜÔ´ Çóµ÷¼Á +19 bradoner 2026-04-01 23/1150 2026-04-03 10:07 by linyelide
[¿¼ÑÐ] µ÷¼Á +7 ìíáº. 2026-04-02 7/350 2026-04-03 09:11 by »¨ß»¹Ç·600
[¿¼ÑÐ] 296Çóµ÷¼Á +4 sdhu 2026-04-02 4/200 2026-04-02 21:29 by baoball
[¿¼ÑÐ] һ־Ըɽ¶«´óѧ£¬085600£¬344 +7 κ×Óper 2026-04-02 8/400 2026-04-02 21:12 by °ÙÁéͯ888
[¿¼ÑÐ] 081200-11408-276ѧ˶Çóµ÷¼Á +3 ´Þwj 2026-04-02 3/150 2026-04-02 15:06 by cal0306
[¿¼ÑÐ] 272Çóµ÷¼Á£¬½ÓÊÜ¿çרҵµ÷¼Á£¡ +4 ÏÐÓ㬠2026-03-31 4/200 2026-04-02 11:18 by guyan1000
[¿¼ÑÐ] Ò»Ö¾Ô¸±±½»´ó²ÄÁϹ¤³Ì×Ü·Ö358 +8 cs0106 2026-04-01 9/450 2026-04-02 10:36 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] ²ÄÁÏÇóµ÷¼Á +10 ÄØÄØÄÝÄÝ 2026-04-01 13/650 2026-04-02 09:17 by olim
[¿¼ÑÐ] ÍÁľ304Çóµ÷¼Á +6 ÍÃͻͻͻ£¬ 2026-03-31 7/350 2026-04-02 09:06 by coolminer
[¿¼ÑÐ] ÉúÎïÓëÒ½Ò©¿¼Ñе÷¼Á +5 Ìúº©º©123425 2026-03-31 5/250 2026-04-01 18:01 by syh9288
[¿¼ÑÐ] 350Çóµ÷¼Á +7 °¢¼Ñ¡« 2026-03-31 7/350 2026-04-01 16:12 by yanflower7133
[¿¼ÑÐ] Çóµ÷¼Á +8 11ggg 2026-03-30 8/400 2026-03-31 13:56 by nanaliuyun
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û