±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 4784  |  »Ø¸´: 8

liu108

ľ³æ (ÕýʽдÊÖ)

[ÇóÖú] VASPÖÐPOSCARÎļþµÄÉú³É

ÎÒµÄPOSCARÎļþÊÇͨ¹ýMSµÃµ½µÄ£¬¾ßÌå·½·¨ÊÇÓÃMSÖеÄCASTEP¼ÆËã±£´æÎļþµÄ°ì·¨£¬µ«ÊÇÔÚ±£´æÊ±ÌáʾҪ²»Òª±£´æÎªprimitive cell£¬ ÎÒÒª²»Òª±£´æÎªÕâÖÖ¾§¸ñ²ÎÊý×öVASPµÄPOSCARÎļþÄØ£¿»¹ÊDz»Òª£¿
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

VASP lywiailyw

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

»áµ±Áè¾ø¶¥£¬Ò»ÀÀÖÚɽС¡£
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ºóÌìÒ»

ľ³æ (СÓÐÃûÆø)

ÎÒÃǵÄ×ÔÓÉ£¡

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
uuv2010: ½ð±Ò+1, ¶àл²ÎÓëÌÖÂÛ 2012-03-16 09:15:24
MS to POSCAR×îºÃÏÈÕҺöԳÆÐÔºóMake P1£¬È¥µô¶Ô³ÆÐÔ£¬ÕâÑù¾§°û±È½Ï¹æÔò
2Â¥2012-03-16 09:09:42
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

huangll99

ľ³æ (Ö°Òµ×÷¼Ò)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
sunyang1988: ½ð±Ò+1, лл°ïÖú 2012-03-16 12:32:09
Èç¹ûÊÇ×öÌåÐÔÖʵļÆË㵱ȻҪÓÃÔ­°û£¨primitive cell)ÁË£¬Ëã³öµÄ½á¹ûÒ»Ñù¶øÇÒЧÂʸß
3Â¥2012-03-16 11:50:55
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zhufeng45890

гæ (³õÈëÎÄ̳)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
sunyang1988: ½ð±Ò+1, лл½»Á÷ 2012-03-16 18:28:35
Ô­°û¼õÉÙÁ˺ܶàÔ­×ÓÊý£¬¼ÆËãЧÂʸߺܶ࣬µ«ÊÇҪעÒâÖáºÍÔ­×Ó×ø±ê¶ÔÓ¦£¬Æäʵ¸Ð¾õÓÃvesta°ÑÁíÍâÒ»¸öÈí¼þµÄÊä³öÎļþ¶Á½øÈ¥£¬ÔÙexport³öÀ´£¬ueÀïÖ±½ÓÁÐģʽ¸´ÖÆÔ­×Ó×ø±êµ½VASPµÄPOSCARÊDZȽϿìµÄ¡£
4Â¥2012-03-16 16:12:05
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

liu108

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
4Â¥: Originally posted by zhufeng45890 at 2012-03-16 16:12:05:
Ô­°û¼õÉÙÁ˺ܶàÔ­×ÓÊý£¬¼ÆËãЧÂʸߺܶ࣬µ«ÊÇҪעÒâÖáºÍÔ­×Ó×ø±ê¶ÔÓ¦£¬Æäʵ¸Ð¾õÓÃvesta°ÑÁíÍâÒ»¸öÈí¼þµÄÊä³öÎļþ¶Á½øÈ¥£¬ÔÙexport³öÀ´£¬ueÀïÖ±½ÓÁÐģʽ¸´ÖÆÔ­×Ó×ø±êµ½VASPµÄPOSCARÊDZȽϿìµÄ¡£

ÄãÖ¸µÄ×¢ÒâÖáºÍ×ø±ê¶ÔÓ¦¾ßÌåÊÇÖ¸Ê²Ã´ÄØÇëÎÊ£¿
»áµ±Áè¾ø¶¥£¬Ò»ÀÀÖÚɽС¡£
5Â¥2012-03-16 18:34:53
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

souledge

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
fzx2008: ½ð±Ò+1, ллָ½Ì 2012-03-17 14:29:22
ÒýÓûØÌû:
5Â¥: Originally posted by liu108 at 2012-03-16 18:34:53:
ÄãÖ¸µÄ×¢ÒâÖáºÍ×ø±ê¶ÔÓ¦¾ßÌåÊÇÖ¸Ê²Ã´ÄØÇëÎÊ£¿

¾ÍÊÇlattice vectorµÄÈý¸öʸÁ¿¼°Ô­×Ó×ø±êÖ®¼äµÄ¶ÔÓ¦Ò»¶¨ÒªÒ»Ö£¬·ñÔò¾Í¿ÉÄܹҵúܲҡ«
˼ÏëÖØÓÚ¼¼ÇÉ£¬ÄÚº­ÖØÓÚ±íÏó
6Â¥2012-03-17 13:54:34
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

΢¶³¿êØyq

гæ (³õÈëÎÄ̳)

ÒýÓûØÌû:
3Â¥: Originally posted by huangll99 at 2012-03-16 11:50:55
Èç¹ûÊÇ×öÌåÐÔÖʵļÆË㵱ȻҪÓÃÔ­°û£¨primitive cell)ÁË£¬Ëã³öµÄ½á¹ûÒ»Ñù¶øÇÒЧÂʸß

Ö±½Ó°ÑÔ­×Ó×ø±ê¸´ÖƹýÈ¥¾Í¿ÉÒÔ
7Â¥2014-09-24 14:52:36
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

΢¶³¿êØyq

гæ (³õÈëÎÄ̳)

ÒýÓûØÌû:
6Â¥: Originally posted by souledge at 2012-03-17 13:54:34
¾ÍÊÇlattice vectorµÄÈý¸öʸÁ¿¼°Ô­×Ó×ø±êÖ®¼äµÄ¶ÔÓ¦Ò»¶¨ÒªÒ»Ö£¬·ñÔò¾Í¿ÉÄܹҵúܲҡ«...

ÓиöÒÉÎʹþ£¬lattice vectorµÄÈý¸öʸÁ¿ÖеÄÖµÓë¾§¸ñ³£ÊýÓÐʲô¹ØÏµ£¬
8Â¥2014-09-24 14:54:45
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

huihui521

гæ (³õÈëÎÄ̳)

ÒýÓûØÌû:
8Â¥: Originally posted by ΢¶³¿êØyq at 2014-09-24 14:54:45
ÓиöÒÉÎʹþ£¬lattice vectorµÄÈý¸öʸÁ¿ÖеÄÖµÓë¾§¸ñ³£ÊýÓÐʲô¹ØÏµ£¬...

ͬÒÉÎÊ

·¢×ÔСľ³æAndroid¿Í»§¶Ë
9Â¥2018-04-12 23:38:45
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ liu108 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 0703»¯Ñ§321·ÖÇóµ÷¼Á +15 Èýdd. 2026-03-30 16/800 2026-04-05 12:46 by Hdyxbekcb
[¿¼ÑÐ] 0703»¯Ñ§ +12 ÄÝÄÝninicgb 2026-04-04 13/650 2026-04-05 10:46 by °¡¿¡£¡
[¿¼ÑÐ] Çóµ÷¼Á +3 µçÆøÐ¡Éñͯ 2026-04-04 3/150 2026-04-05 10:17 by barlinike
[¿¼ÑÐ] ¿¼Ñе÷¼Á +3 mcbbc 2026-04-04 3/150 2026-04-05 10:03 by barlinike
[¿¼ÑÐ] 353Çóµ÷¼Á +10 MayUxw1 2026-04-03 10/500 2026-04-05 09:23 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 302·ÖÇóµ÷¼Á Ò»Ö¾Ô¸°²»Õ´óѧ085601 +5 zyxÉϰ¶£¡ 2026-04-04 5/250 2026-04-05 07:50 by 544594351
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©2£¬²ÄÁÏÓ뻯¹¤308Çóµ÷¼Á +10 ÐܶþÏëÉϰ¶ 2026-04-04 10/500 2026-04-05 05:20 by houyaoxu
[¿¼ÑÐ] »·¾³285·Ö£¬¹ýÁù¼¶£¬Çóµ÷¼Á +10 xhr12 2026-04-02 10/500 2026-04-04 21:53 by bn53987
[¿¼ÑÐ] 278Çóµ÷¼Á +6 Yy7400 2026-04-03 6/300 2026-04-04 09:53 by zhangdingwa
[¿¼ÑÐ] 311Çóµ÷¼Á +20 zchqwer 2026-04-01 22/1100 2026-04-03 22:09 by lglzsd
[¿¼ÑÐ] 320µ÷¼Á +4 ũҵ¹¤³ÌÓëÐÅÏ¢¼ 2026-04-03 4/200 2026-04-03 21:40 by lbsjt
[˶²©¼ÒÔ°] ÇóÀÏʦÊÕÁô +9 lllq123 2026-04-03 9/450 2026-04-03 13:48 by ºôÎü¶¼ÊǼõ·Ê
[¿¼ÑÐ] 085801 ×Ü·Ö275 ±¾¿ÆÐÂÄÜÔ´ Çóµ÷¼Á +19 bradoner 2026-04-01 23/1150 2026-04-03 10:07 by linyelide
[¿¼ÑÐ] 372·Ö²ÄÁÏÓ뻯¹¤£¨085600£©Ò»Ö¾Ô¸ºþÄÏ´óѧÇóµ÷¼Á +5 À¶¼ãƬ 2026-04-02 6/300 2026-04-02 21:37 by dongzh2009
[¿¼ÑÐ] 22408 266Çóµ÷¼Á +3 masss11222 2026-04-02 3/150 2026-04-02 18:11 by ±ÊÂä½õÖÝ
[¿¼ÑÐ] 0817»¯¹¤Ñ§Ë¶µ÷¼Á +11 ŬÁ¦Éϰ¶ÖУ¡ 2026-03-31 11/550 2026-04-01 20:30 by Àµ´ºÑÞ
[¿¼ÑÐ] 303·Ö 0807ѧ˶Çóµ÷¼Á +3 TYC3632 2026-04-01 3/150 2026-04-01 19:24 by lwk2004
[¿¼ÑÐ] µ÷¼ÁÉêÇë +8 ÕÅÕÅÕÅÕÅzy 2026-03-31 9/450 2026-04-01 08:29 by zjbkx
[¿¼ÑÐ] ²ÄÁÏ¿ÆÑ§Ó빤³ÌÇóµ÷¼Á +13 ÉîVËÞÉá°É 2026-03-29 13/650 2026-03-31 19:50 by Dyhoer
[¿¼ÑÐ] ºÏ·ÊÇøÓòÐÔÖØµãÒ»±¾ÕÐÊÕµ÷¼Á +4 6266jl 2026-03-30 8/400 2026-03-31 18:43 by 6266jl
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û