Znn3bq.jpeg
ÉÇÍ·´óѧº£Ñó¿ÆÑ§½ÓÊܵ÷¼Á
²é¿´: 3882  |  »Ø¸´: 7

liuxiuaza

½ð³æ (ÕýʽдÊÖ)

[ÇóÖú] ·Ö²¨Ì¬ÃܶÈÊÇʲô£¿ÈçºÎÔÚCASTEPÖÐ×ö³ö·Ö²¨Ì¬ÃܶȵÄͼ£¿

·Ö²¨Ì¬ÃܶÈÊÇʲô£¿ËüÓ벿·Ö̬ÃܶÈÓÐÊ²Ã´Çø±ð£¿ÈçºÎÔÚCASTEPÖÐ×ö³ö·Ö²¨Ì¬ÃܶȵÄͼ£¨ÔÚCASTEPÖÐÈçºÎÉèÖòÎÊý£©£¿
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

µÚÒ»Ô­Àí×ÊÁÏ»ã±à

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

cash_ms

ľ³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï
liuxiuaza(½ð±Ò+2): 2011-11-24 22:41:40
WDD880227(½ð±Ò+1): ¸Ðл½»Á÷~ 2012-02-11 15:03:46
liuxiuaza: ½ð±Ò+4 2012-04-21 14:19:54
ÒýÓûØÌû:
1Â¥: Originally posted by liuxiuaza at 2011-11-23 18:35:48:
·Ö²¨Ì¬ÃܶÈÊÇʲô£¿ËüÓ벿·Ö̬ÃܶÈÓÐÊ²Ã´Çø±ð£¿ÈçºÎÔÚCASTEPÖÐ×ö³ö·Ö²¨Ì¬ÃܶȵÄͼ£¨ÔÚCASTEPÖÐÈçºÎÉèÖòÎÊý£©£¿

·Ö²¨Ì¬ÃܶȺͲ¿·Ö̬ÃܶȺÃÏñÊÇÒ»¸ö¸ÅÄî°É£¬¶¼ÊÇÖ¸µÄs,p,d,fµç×ÓµÄ̬ÃܶÈ
¾ÖÓò̬ÃܶÈÖ¸µÄÊǽṹÖеIJ¿·ÖÔ­×ÓµÄ̬ÃܶÈ
¼ÆËã·Ö²¨Ì¬Ãܶȣ¬Ö»ÐèÒªÔÚ¼ÆËãʱºò¹´ÉϼÆË㲿·Ö̬ÃܶÈÄǸö¼´¿É
2Â¥2011-11-23 19:43:35
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

weiyongkai

ľ³æ (Ö°Òµ×÷¼Ò)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

liuxiuaza(½ð±Ò+2): 2011-11-24 22:41:48
WDD880227(½ð±Ò+1): ¸Ðл½»Á÷~ 2012-02-11 15:04:03
ÔÚÏàÓ¦µÄÐÔÖʼÆËãÖй´Ñ¡density of state,¹´Ñ¡Ö®ºóÔÙ¹´Ñ¡Calculate PDOS£¬ËãÍêÖ®ºóÖ±½ÓµãAnalysis±ã¿ÉÒԵóö
ÁèÔÆ
3Â¥2011-11-23 19:48:53
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

whb06370283

½ð³æ (СÓÐÃûÆø)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

liuxiuaza(½ð±Ò+2): 2011-11-24 22:41:52
WDD880227(½ð±Ò+1): ¸Ðл½»Á÷~ 2012-02-11 15:04:15
ËãDOSµÄʱºò¹´ÉÏPDOS£¬·ÖÎöµÄʱºòÒ»Ñù£¬ÔÚÄ£ÐÍÀïѡһ¸öÔ­×ÓÔÙ·ÖÎöPDOS¾ÍÄÜ¿´µ½·Ö²¨Ì¬ÁË
4Â¥2011-11-23 19:49:18
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

liu_gang

Òø³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
3Â¥: Originally posted by weiyongkai at 2011-11-23 19:48:53:
ÔÚÏàÓ¦µÄÐÔÖʼÆËãÖй´Ñ¡density of state,¹´Ñ¡Ö®ºóÔÙ¹´Ñ¡Calculate PDOS£¬ËãÍêÖ®ºóÖ±½ÓµãAnalysis±ã¿ÉÒԵóö

ÎÒÓõÄMS4.3°æ±¾£¬¹´Ñ¡Íêdensity of stateºó£¬ÔÚÄÄÄܹ´Ñ¡calculate PDOSÄØ£¿
¿¼À­
5Â¥2012-02-02 08:29:18
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

tequila2008

Í­³æ (СÓÐÃûÆø)

WDD880227(½ð±Ò+1): ¸ÐлÄúµÄÄÍÐĻظ´~~ 2012-02-11 15:04:33
ÒýÓûØÌû:
5Â¥: Originally posted by liu_gang at 2012-02-02 08:29:18:
ÎÒÓõÄMS4.3°æ±¾£¬¹´Ñ¡Íêdensity of stateºó£¬ÔÚÄÄÄܹ´Ñ¡calculate PDOSÄØ£¿

¹´Ñ¡density of stateºó£¬¾ÍÔÚͬһ¸ö¶Ô»°¿òÏÂÃæÓÐÒ»¸öcalculate pdosµÄÑ¡Ïһ¶¨ÒªÏ¸ÐÄ£¬Í¬Ö¾£¡
6Â¥2012-02-11 11:15:09
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

May_lin

½ð³æ (СÓÐÃûÆø)

http://muchong.com/bbs/viewthread.php?tid=2090099    ¿´¿´Õâ¸öÌû×Ó£¬ÉÏÃæ½²µÄºÜÇå³þÁË
7Â¥2012-05-07 08:52:45
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

liutian1234

гæ (³õÈëÎÄ̳)

ÒýÓûØÌû:
6Â¥: Originally posted by tequila2008 at 2012-02-11 11:15:09
¹´Ñ¡density of stateºó£¬¾ÍÔÚͬһ¸ö¶Ô»°¿òÏÂÃæÓÐÒ»¸öcalculate pdosµÄÑ¡Ïһ¶¨ÒªÏ¸ÐÄ£¬Í¬Ö¾£¡...

ΪʲôÎÒÔÚ¼ÆËãµÄʱºò¹´Ñ¡ÁËPDOS£¬²¢ÇÒÔÚ·ÖÎöµÄʱºò»¹ÔÚ.xsd¸ñʽÏÂÒÔ¼°Ñ¡ÁËÆäÖÐÒ»¸öÔ­×Ó£¬PDOS»¹Êǻҵģ¬ÕâÊÇÔõô»ØÊ£¬
8Â¥2017-01-05 09:52:28
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ liuxiuaza µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 291·Öµ÷¼Á +6 Éϰ¶Ð¡Ó¨¼ÓÓÍ 2026-04-09 7/350 2026-04-14 17:58 by lhj2009
[¿¼ÑÐ] 291 Çóµ÷¼Á +36 »¯¹¤2026½ì±ÏÒµÉ 2026-04-09 37/1850 2026-04-14 17:56 by lhj2009
[¿¼ÑÐ] ²ÄÁÏ299ר˶Çóµ÷¼Á +16 +21 2026-04-09 16/800 2026-04-14 17:06 by jiangguiquan11
[¿¼ÑÐ] ҩѧÇóµ÷¼Á +6 RussHu 2026-04-12 7/350 2026-04-14 15:16 by sxdj2
[¿¼ÑÐ] ±¾¿Æ211£¬±¨¿¼085601-310·Ö +16 ararak 2026-04-13 16/800 2026-04-14 14:55 by Delta2012
[¿¼ÑÐ] ʳƷÓëÓªÑø£¨0955£©271Çóµ÷¼Á +15 Éý¸ñ°¢´ï 2026-04-12 16/800 2026-04-14 13:18 by ¸¡Èô_°²Éú
[¿¼ÑÐ] Ò»Ö¾Ô¸»ªÄÏÀí¹¤´óѧ331·Ö²ÄÁÏÇóµ÷¼Á +10 ÌìÏÂww 2026-04-09 11/550 2026-04-13 23:25 by pies112
[»ù½ðÉêÇë] Óб¬ÁÏ£¬Ò»¸öÇàÄê½ÌʦÂô·¿µÃ400Íò£¬È»ºó»»ÁËÒ»¸öËÄÇàñ×Ó +11 babu2015 2026-04-08 11/550 2026-04-13 16:33 by probebill
[¿¼ÑÐ] Ò»Ö¾Ô¸0807 ÊýÒ»Ó¢Ò» 313 ÓÐûÓжþÂÖµ÷¼Á +12 emokidd 2026-04-08 13/650 2026-04-13 08:32 by lhj2009
[¿¼ÑÐ] 344 ²ÄÁÏרҵ Çóµ÷¼Á211 ÎÞµØÓòÒªÇó +8 hualkop 2026-04-11 8/400 2026-04-12 22:24 by fqwang
[¿¼ÑÐ] 22408 352·ÖÇóµ÷¼Á +5 ŬÁ¦µÄÏÄÄ© 2026-04-09 5/250 2026-04-12 19:17 by wj165256
[¿¼ÑÐ] Ò»Ö¾Ô¸»ªÖÐũ΢ÉúÎ288·Ö£¬ÈýÄêʵÑé¾­Àú +11 ´úfish 2026-04-09 11/550 2026-04-12 10:21 by Hayaay
[¿¼ÑÐ] µ÷¼ÁÇóÖú +6 ¹ûÈ»ÓÐÎÒ 2026-04-11 7/350 2026-04-11 16:22 by Ã÷Ô´ËʱÓÐ
[¿¼ÑÐ] 22408µ÷¼ÁÇóÖú +7 ì±12 2026-04-09 9/450 2026-04-11 09:23 by ŶŶ123
[¿¼ÑÐ] 346£¬¹¤¿Æ0854Çóµ÷¼Á£¬×¨Ë¶ +7 moser233 2026-04-10 8/400 2026-04-11 08:52 by Öí»á·É
[¿¼ÑÐ] ¼ª´ó¼ÆËã»ú¼¼Êõ331·Ö£¬Ó¢ÓïÁù¼¶£¬Çóµ÷¼Á +3 ·å·å021116 2026-04-09 3/150 2026-04-10 20:01 by chemisry
[¿¼ÑÐ] ¼ÆËã»úÀàÇóµ÷¼Á£¬22408-274·Ö +7 Éϰ¶deС³æ 2026-04-09 8/400 2026-04-10 19:56 by fxue1114
[¿¼ÑÐ] »úеר368 ÓÐÈ¥´¦Âð +4 ÖÖ´óÊ÷ 2026-04-10 4/200 2026-04-10 15:31 by jiajinhpu
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á£¬Ò»Ö¾Ô¸Ö£ÖÝ´óѧ²ÄÁÏÓ뻯¹¤289·Ö +31 ˶ÐǸ° 2026-04-08 31/1550 2026-04-09 16:54 by Delta2012
[¿¼ÑÐ] µç×ÓÐÅÏ¢346 +4 zuoshaodian 2026-04-08 4/200 2026-04-08 11:54 by zzucheup
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û