Znn3bq.jpeg
²é¿´: 15941  |  »Ø¸´: 314

gavinliu7390

ľ³æ (ÖøÃûдÊÖ)

Ò¶ÂäÓ¥·É

¡ï
youzhizhe(½ð±Ò+1): ¹ÄÀøÌṩÐÅÏ¢¡£ 2011-03-04 00:43:46
ÒýÓûØÌû:
Originally posted by ºØÒÇ at 2011-02-22 03:05:57:
Do the vasp can calculate the mobilities of an semiconductace (such as Si) and how ?  Please pates the file of INCAR , POSCAR and   KPOINTS on .Thanks so much !

I have no experience on calculating the mobilities of an semiconductace.
ÕæÀíÊÇÒ»µãµã½Ó½üµÄ£¡
161Â¥2011-02-22 17:43:06
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

uuv2010

ÈÙÓþ°æÖ÷ (Ö°Òµ×÷¼Ò)

ÓÅÐã°æÖ÷

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
Â¥Ö÷ÄúºÃ£º
ÏòÄúÇë½ÌÒ»¸öÎÊÌ⣺
¶ÔÓÚ¶þάÌåϵ¼ÆËã´ÅÐÔ£¬OSZICARÖиø³öµÄÌåϵ×ܵĴžØÊÇ1.27£¬¶øOUTCARÖÐÿ¸öÔ­×ÓÉϵĴžصļӺÍÊÇ0.78£¬ÕâÖÖÇé¿öÏ£¬ÎÒÃÇ¿´¾ßÌåij¸öÔ­×ӵĴžØÊ±£¬ÊÇÖ±½Ó°´ÕÕOUTCARÖиø³öµÄij¸öÔ­×ӵĴžػ¹ÊÇÓбðµÄºÃµÄ´¦Àí·½·¨£¿»òÕßÊÇÎÒ¼ÆËã´íÁË£¿¶àл¶àл£¡
162Â¥2011-03-09 20:21:37
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zhxd1028

½û³æ (СÓÐÃûÆø)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
±¾ÌûÄÚÈݱ»ÆÁ±Î

163Â¥2011-03-25 23:35:44
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

juchen

½ð³æ (СÓÐÃûÆø)

ÉýÎÂÄ£¿é£¿

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÎÒÏë×ö·Ç¾§Ì¬²ÄÁϵÄÄ£Äâ~~
Ïë´Ó¾§Ì¬µÄ²ÄÁÏÏÈÈÚ»¯ÔÚ¿ìËÙ½µÎÂ
ÇëÎÊVASPÖÐÄǸöÄ£¿é¿ÉÒÔ½øÐÐÉýνµÎµÄÄ£Ä⣿
ÎÒÔÚÂÛÎÄÀïÃæ¿´µ½The temperature was controlled using the Nose Thermostats"

·Ç³£·Ç³£¸Ðл£¡£¡
Everypointwillfinallybeconnected
164Â¥2011-04-07 16:32:07
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

gavinliu7390

ľ³æ (ÖøÃûдÊÖ)

Ò¶ÂäÓ¥·É

¡ï ¡ï
zzy870720z(½ð±Ò+2): лл½¨Òé 2011-04-15 00:03:46
ÒýÓûØÌû:
Originally posted by juchen at 2011-04-07 16:32:07:
ÎÒÏë×ö·Ç¾§Ì¬²ÄÁϵÄÄ£Äâ~~
Ïë´Ó¾§Ì¬µÄ²ÄÁÏÏÈÈÚ»¯ÔÚ¿ìËÙ½µÎÂ
ÇëÎÊVASPÖÐÄǸöÄ£¿é¿ÉÒÔ½øÐÐÉýνµÎµÄÄ£Ä⣿
ÎÒÔÚÂÛÎÄÀïÃæ¿´µ½The temperature was controlled using the Nose Thermostats"

·Ç³£·Ç³£¸Ðл ...

ÀûÓ÷Ö×Ó¶¯Á¦Ñ§¿ÉÒÔÏȼÓΣ¬ ÔÙ½µÎ¡£
ÕæÀíÊÇÒ»µãµã½Ó½üµÄ£¡
165Â¥2011-04-10 23:02:56
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

likai0106

½ð³æ (СÓÐÃûÆø)

VASPÔËÐÐÎÊÌâ

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÎÒ°²×°µÄÊÇvasp5.2£¬topÏÔʾÕý³£ÔËÐÐ8ºË¼ÆË㣬µ«ÊÇÎÒµÄOSZICARдµ½Ä³Ò»²½Ê±¾Í²»ÔÙ¼ÌÐøÐ´ÁË£¬¶øÇÒvasp»¹ÔÚÔËÐУ¬ºóÀ´ÎÞÂÛʱ¼ä¶à³¤¶¼²»¸üÐÂOSZICAR¡£¶øÇÒÌåϵÊÇÊÕÁ²µÄ£¡Çë½ÌÊÇʲôÎÊÌâ°¡£¿
166Â¥2011-04-15 12:53:10
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

crystalgirl1

½ð³æ (СÓÐÃûÆø)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÇëÎÊÂ¥Ö÷ÓÃVASP¼ÆËã¹ýÀ©É¢Âð£¿ÆäÖÐÓиöCI-NEB¿ÉÒÔÕÒµ½×îСÄÜÁ¿Â·¾¶£¬ÇëÎÊÕâ¸öCI-NEBÓëMSÖеÄCASTEPÓжÔÓ¦µÄ·½·¨Â𣿻òÕß˵Õâ¸ö×îСÄÜÁ¿Â·¾¶Äܸø³ö·¾¶×ø±êÂð£¿
167Â¥2011-05-09 09:18:21
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

gavinliu7390

ľ³æ (ÖøÃûдÊÖ)

Ò¶ÂäÓ¥·É

¡ï ¡ï
youzhizhe(½ð±Ò+2): лл½»Á÷¡£ 2011-05-18 17:18:51
ÒýÓûØÌû:
Originally posted by crystalgirl1 at 2011-05-09 09:18:21:
ÇëÎÊÂ¥Ö÷ÓÃVASP¼ÆËã¹ýÀ©É¢Âð£¿ÆäÖÐÓиöCI-NEB¿ÉÒÔÕÒµ½×îСÄÜÁ¿Â·¾¶£¬ÇëÎÊÕâ¸öCI-NEBÓëMSÖеÄCASTEPÓжÔÓ¦µÄ·½·¨Â𣿻òÕß˵Õâ¸ö×îСÄÜÁ¿Â·¾¶Äܸø³ö·¾¶×ø±êÂð£¿

vaspºÍcastepÊǶÔÓ¦µÄ¡£ Äã˵µÄCI-NEBºÍʲô¶ÔÓ¦ÎÒ²»Ì«Ã÷°×¡£
ÓÃCI-NEBµ±È»¿ÉÒÔÕÒµ½Â·¾¶×ø±ê¡£
ÕæÀíÊÇÒ»µãµã½Ó½üµÄ£¡
168Â¥2011-05-10 11:56:56
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

crystalgirl1

½ð³æ (СÓÐÃûÆø)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
Originally posted by gavinliu7390 at 2011-05-10 11:56:56:
vaspºÍcastepÊǶÔÓ¦µÄ¡£ Äã˵µÄCI-NEBºÍʲô¶ÔÓ¦ÎÒ²»Ì«Ã÷°×¡£
ÓÃCI-NEBµ±È»¿ÉÒÔÕÒµ½Â·¾¶×ø±ê¡£

ÒòΪÎÒÏëÓÃCASTEP¼ÆËãÀ©É¢£¬ËùÒÔÏëÎÊÎÊÔÚCASTEPÖÐÔõÑùÕÒ×îСÄÜÁ¿Â·¾¶¡£
169Â¥2011-05-10 14:35:25
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

gavinliu7390

ľ³æ (ÖøÃûдÊÖ)

Ò¶ÂäÓ¥·É

¡ï
youzhizhe(½ð±Ò+1): лл½»Á÷¡£¹À¼ÆÉÙÁ˸ö¡°²»¡±£¿ 2011-06-14 16:28:02
ÒýÓûØÌû:
Originally posted by crystalgirl1 at 2011-05-10 14:35:25:
ÒòΪÎÒÏëÓÃCASTEP¼ÆËãÀ©É¢£¬ËùÒÔÏëÎÊÎÊÔÚCASTEPÖÐÔõÑùÕÒ×îСÄÜÁ¿Â·¾¶¡£

ÎÒÔõôÓÃcastep£¬ Ä㻹ÊÇÎÊÎÊcastepµÄÏà¹Ø×¨¼Ò°É¡£ Ìý˵ÊÇ¿ÉÒÔ¡£
ÕæÀíÊÇÒ»µãµã½Ó½üµÄ£¡
170Â¥2011-05-10 15:17:59
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ gavinliu7390 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Çóµ÷¼Á +3 ÖíÈâ¶Õ·ÛÌõcc 2026-04-08 3/150 2026-04-09 08:43 by GouQ
[¿¼ÑÐ] ²ÄÁÏ334Çóµ÷¼Á +21 Eecho# 2026-04-03 21/1050 2026-04-08 22:55 by Öí»á·É
[¿¼ÑÐ] 311Çóµ÷¼Á +5 surte 2026-04-08 11/550 2026-04-08 22:10 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] 302·ÖÇóµ÷¼Á +4 ·²ÓïÆíÔ¸ 2026-04-08 5/250 2026-04-08 22:03 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] 265Çóµ÷¼Á +3 ·ç˵ËýÔçÍüÁË 2026-04-07 3/150 2026-04-08 20:20 by ÄæË®³Ë·ç
[¿¼ÑÐ] 298Çóµ÷¼Á +6 ¶¤¶£ß˶¬¹Ï 2026-04-07 8/400 2026-04-08 10:51 by ÖзÉÔº¿Õ¹ÜѧԺÑ
[¿¼ÑÐ] 316Çóµ÷¼Á +4 15318418673 2026-04-07 4/200 2026-04-07 22:12 by hemengdong
[¿¼ÑÐ] ũѧ£¬Çóµ÷¼Á£¬314·Ö +4 ·Ã¿Í¼Ç¼¿É°® 2026-04-04 4/200 2026-04-07 21:07 by µÈ°¶
[¿¼ÑÐ] 085602µ÷¼Á ³õÊÔ×Ü·Ö335 +3 19123253302 2026-04-06 3/150 2026-04-07 18:00 by jp9609
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©2£¬²ÄÁÏÓ뻯¹¤308Çóµ÷¼Á +16 ÐܶþÏëÉϰ¶ 2026-04-04 17/850 2026-04-07 14:58 by BruceLiu320
[¿¼ÑÐ] µ÷¼Á +4 mcbbc 2026-04-06 5/250 2026-04-07 12:33 by upczlm1989
[¿¼ÑÐ] Ò»Ö¾Ô¸¹ú¿Æ´óÐŹ¤Ëù,Ó¢¶þÊý¶þ408×Ü·Ö293·ÖÇóµ÷¼Á +3 ilcyuan 2026-04-02 4/200 2026-04-06 16:35 by likeihood
[¿¼ÑÐ] ÇóÖú +3 ¿¨¿¨¶«88 2026-04-06 4/200 2026-04-06 15:28 by going home
[¿¼ÑÐ] 272·ÖÇóµ÷¼Á +4 wangyile2233 2026-04-02 4/200 2026-04-05 22:21 by 286640313
[¿¼ÑÐ] Çóµ÷¼Á +7 ÕÅ.1 2026-04-05 7/350 2026-04-05 20:40 by à£à£à£0119
[¿¼ÑÐ] 283·ÖÇóµ÷¼Á +7 СÄô°®Ñ§Ï° 2026-04-03 7/350 2026-04-04 21:51 by hemengdong
[¿¼ÑÐ] Ò»Ö¾Ô¸ÉϺ£´óѧÉúÎïѧ346 +3 ÉϺ£´óѧ346µ÷¼Á 2026-04-03 3/150 2026-04-04 20:20 by dongzh2009
[¿¼ÑÐ] Çóµ÷¼Á +3 ffyyu 2026-04-02 3/150 2026-04-04 19:03 by À¶ÔÆË¼Óê
[¿¼ÑÐ] Ò»Ö¾Ô¸0817»¯Ñ§¹¤³ÌÓë¼¼Êõ£¬Çóµ÷¼Á +24 ÎÒ²»ÊÇÖ»Òò 2026-04-02 28/1400 2026-04-04 15:15 by dongzh2009
[¿¼ÑÐ] 366Çóµ÷¼Á +7 sbdnd 2026-04-03 7/350 2026-04-03 12:40 by cymywx
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û