²é¿´: 5174  |  »Ø¸´: 11

enola

¾èÖú¹ó±ö (ÕýʽдÊÖ)

[½»Á÷] ¡¾ÇóÖú¡¿msÄ£ÐÍÔ­×Ó×ø±êµÄµ¼³ö ÒÑÓÐ6È˲ÎÓë

ÔÚmsÀï¼üÁ˹èµÄ¹ßÓþ§°û£¨conventional cell£©,ÎÒÊýÁËÏÂÓÐ18¸ö¿É¼ûµÄ¹èÔ­×Ó£¬¿ÉÊÇÎÒ°´ÕÕÍøÉϵķ½·¨£¬ÔËËãÏÂms£¬ÔÙµ¼³ö×ø±ê£¬Ê£ÏÂ8¸ö×ø±ê£¬ÎÒÏëÖªµÀÕâÖ®¼äµÄ¶ÔÓ¦¹ØÏµÊÇʲô°¡£¿ËûµÄ¾§Ìå½á¹¹ÀàÐÍÊÇÊ²Ã´ÄØ£¿scc£¬fcc¡£¼ÇµÃÓиö´óÏÀ¸úÎÒ˵¹ý£¬ÎÒ²»ÊǺܶ®
»Ø¸´´ËÂ¥
timeflies..
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
»ØÌûÖ§³Ö ( ÏÔʾ֧³Ö¶È×î¸ßµÄǰ 50 Ãû )

enola

¾èÖú¹ó±ö (ÕýʽдÊÖ)

¡ï
zxzj05(½ð±Ò+1):²ÎÓë½±Àø£¡ 2010-10-01 20:28:42
ÒýÓûØÌû:
Originally posted by dingfengbo at 2010-09-29 09:33:55:

ÎÒÏëÎÊÒ»ÏÂÓÃms½¨Á˹èµÄ¹ßÓþ§°ûºó£¬ÔõÑùµ¼³ö×ø±êÄØ£¿ÎÒ°´ÍøÉÏ˵µÄÏȵ¼³ö³É.carÎļþ£¬ÔÙÓÃд×Ö°å´ò¿ª£¬·¢ÏÖÄÇÀïÃæµÄÄÚÈݲ»ÊÇfractional ×ø±ê£¡

msÀィºÃ½á¹¹ºó£¬ÔËÐÐÏÂcastep£¬ÈÎÎñËæ±ãÑ¡£¬µãstop£¬È»ºó¿´Êä³öÎļþÀïµÄ.castepÎļþ£¬ÄãÃæÓÐpwscfËùÒªµÄÏêϸÐÅÏ¢£º
*******************************************************************************
  

                           -------------------------------
                                      Unit Cell
                           -------------------------------
        Real Lattice(A)                      Reciprocal Lattice(1/A)
   9.9560000   0.0000000   0.0000000        0.6310954   0.0000000   0.0000000
   0.0000000   9.9560000   0.0000000        0.0000000   0.6310954   0.0000000
   0.0000000   0.0000000  13.8960000        0.0000000   0.0000000   0.4521578

                       Lattice parameters(A)       Cell Angles
                    a =    9.956000          alpha =   90.000000
                    b =    9.956000          beta  =   90.000000
                    c =   13.896000          gamma =   90.000000
timeflies..
4Â¥2010-09-29 21:09:43
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

dingfengbo

гæ (СÓÐÃûÆø)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÒýÓûØÌû:
Originally posted by enola at 2010-09-29 21:09:43:

msÀィºÃ½á¹¹ºó£¬ÔËÐÐÏÂcastep£¬ÈÎÎñËæ±ãÑ¡£¬µãstop£¬È»ºó¿´Êä³öÎļþÀïµÄ.castepÎļþ£¬ÄãÃæÓÐpwscfËùÒªµÄÏêϸÐÅÏ¢£º
*******************************************************************************
  
...

лл£¡ÕâÖÖ·½·¨Í¦ºÃÓõģ¡ÁíÍâÎÒ»¹Ëѵ½£ºÔÚMSÖÐÏȽ¨Ä£ÐÍ£¬È»ºóµãcastepÖеÄcalculation£¬µã»÷³öÏֵĶԻ°¿òÖеÄfiles£¬save files£¬×îºóÔÚ½¨µÄÄ£ÐÍÃûÉÏÓÒ»÷Ñ¡Ôñproperties£¬¸´ÖÆÎļþµÄλÖã¬ÔÚÎҵĵçÄÔÖÐÕÒµ½¸ÃÎļþËùÔÚÎļþ¼Ð£¬Îļþ¼ÐÖÐÓиö.cellÒþ²ØÎļþ£¬ÓüÇʱ¾´ò¿ª¾ÍÓÐ×ø±êºÍ»ùʸ£¡
5Â¥2010-10-01 14:24:34
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
ÆÕͨ»ØÌû

lono75

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

¡ï
zxzj05(½ð±Ò+1):3Q 2010-04-11 21:05
½ÇÉÏÊÇ1/8
ÃæÉÏÊÇ1/2
ÓÉÌìÃü,³ÉÈËÊ£¡
2Â¥2010-04-11 13:05:31
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

dingfengbo

гæ (СÓÐÃûÆø)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÒýÓûØÌû:
Originally posted by enola at 2010-04-11 11:06:46:
ÔÚmsÀï¼üÁ˹èµÄ¹ßÓþ§°û£¨conventional cell£©,ÎÒÊýÁËÏÂÓÐ18¸ö¿É¼ûµÄ¹èÔ­×Ó£¬¿ÉÊÇÎÒ°´ÕÕÍøÉϵķ½·¨£¬ÔËËãÏÂms£¬ÔÙµ¼³ö×ø±ê£¬Ê£ÏÂ8¸ö×ø±ê£¬ÎÒÏëÖªµÀÕâÖ®¼äµÄ¶ÔÓ¦¹ØÏµÊÇʲô°¡£¿ËûµÄ¾§Ìå½á¹¹ÀàÐÍÊÇÊ²Ã´ÄØ£¿scc£¬fcc ...

ÎÒÏëÎÊÒ»ÏÂÓÃms½¨Á˹èµÄ¹ßÓþ§°ûºó£¬ÔõÑùµ¼³ö×ø±êÄØ£¿ÎÒ°´ÍøÉÏ˵µÄÏȵ¼³ö³É.carÎļþ£¬ÔÙÓÃд×Ö°å´ò¿ª£¬·¢ÏÖÄÇÀïÃæµÄÄÚÈݲ»ÊÇfractional ×ø±ê£¡
3Â¥2010-09-29 09:33:55
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

enola

¾èÖú¹ó±ö (ÕýʽдÊÖ)

ÒýÓûØÌû:
Originally posted by dingfengbo at 2010-10-01 14:24:34:

лл£¡ÕâÖÖ·½·¨Í¦ºÃÓõģ¡ÁíÍâÎÒ»¹Ëѵ½£ºÔÚMSÖÐÏȽ¨Ä£ÐÍ£¬È»ºóµãcastepÖеÄcalculation£¬µã»÷³öÏֵĶԻ°¿òÖеÄfiles£¬save files£¬×îºóÔÚ½¨µÄÄ£ÐÍÃûÉÏÓÒ»÷Ñ¡Ôñproperties£¬¸´ÖÆÎļþµÄλÖã¬ÔÚÎҵĵçÄÔÖÐÕÒµ½¸ÃÎÄ ...

¹þ¹þ¡£¡£¶à¶à½»Á÷
timeflies..
6Â¥2010-10-01 16:27:47
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

w511476842

Òø³æ (СÓÐÃûÆø)

ÊܽÌÁË
7Â¥2011-09-26 16:27:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lvyawei

½ð³æ (СÓÐÃûÆø)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
4Â¥: Originally posted by enola at 2010-09-29 21:09:43
msÀィºÃ½á¹¹ºó£¬ÔËÐÐÏÂcastep£¬ÈÎÎñËæ±ãÑ¡£¬µãstop£¬È»ºó¿´Êä³öÎļþÀïµÄ.castepÎļþ£¬ÄãÃæÓÐpwscfËùÒªµÄÏêϸÐÅÏ¢£º
*******************************************************************************
  

...

ÎÒÕâ±ßcastep¶¼run²»ÁË£¬²»ÖªµÀΪʲô
8Â¥2014-10-14 15:57:46
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

shoutingabc

гæ (³õÈëÎÄ̳)

ÒýÓûØÌû:
8Â¥: Originally posted by lvyawei at 2014-10-14 15:57:46
ÎÒÕâ±ßcastep¶¼run²»ÁË£¬²»ÖªµÀΪʲô...

ÎÒÒ²ÊÇ
9Â¥2018-01-22 20:31:13
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

shoutingabc

гæ (³õÈëÎÄ̳)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
5Â¥: Originally posted by dingfengbo at 2010-10-01 14:24:34
лл£¡ÕâÖÖ·½·¨Í¦ºÃÓõģ¡ÁíÍâÎÒ»¹Ëѵ½£ºÔÚMSÖÐÏȽ¨Ä£ÐÍ£¬È»ºóµãcastepÖеÄcalculation£¬µã»÷³öÏֵĶԻ°¿òÖеÄfiles£¬save files£¬×îºóÔÚ½¨µÄÄ£ÐÍÃûÉÏÓÒ»÷Ñ¡Ôñproperties£¬¸´ÖÆÎļþµÄλÖã¬ÔÚÎҵĵçÄÔÖÐÕÒµ½¸ÃÎļþ ...

½¨Á¢Ä£Ðͺ󣬲»¿ÉÒÔÖ±½Óµ¼³ö.car»òÕß.cifÎļþÌáÈ¡×ø±êÂð£¿
10Â¥2018-01-22 20:34:38
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ enola µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 321Çóµ÷¼Á +5 ´óÃ×·¹£¡ 2026-03-15 5/250 2026-03-16 16:33 by houyaoxu
[¿¼ÑÐ] ÖпÆÔº²ÄÁÏ273Çóµ÷¼Á +4 yzydy 2026-03-15 4/200 2026-03-16 15:59 by Gaodh_82
[¿¼ÑÐ] 0703 ÎïÀí»¯Ñ§µ÷¼Á +3 ÎÒ¿ÉÒÔÉϰ¶µÄ¶Ô 2026-03-13 5/250 2026-03-16 10:50 by ÎÒ¿ÉÒÔÉϰ¶µÄ¶ÔÂ
[¿¼ÑÐ] 311Çóµ÷¼Á +6 ¶¬Ê®Èý 2026-03-15 6/300 2026-03-16 08:00 by wang_dand
[¿¼ÑÐ] 326Çóµ÷¼Á +3 mlpqaz03 2026-03-15 3/150 2026-03-16 07:33 by Iveryant
[¿¼ÑÐ] 327Çóµ÷¼Á +6 ʰ¹âÈÎȾ 2026-03-15 11/550 2026-03-15 22:47 by ʰ¹âÈÎȾ
[¿¼ÑÐ] 288Çóµ÷¼Á +4 Ææµã0314 2026-03-14 4/200 2026-03-14 23:04 by JourneyLucky
[¿¼ÑÐ] ²ÄÁϹ¤³Ì327Çóµ÷¼Á +3 xiaohe12w 2026-03-11 3/150 2026-03-14 20:20 by ms629
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á +3 ºôºô£¿~+123456 2026-03-14 3/150 2026-03-14 16:53 by WTUChen
[¿¼ÑÐ] ²ÄÁÏ080500µ÷¼ÁÇóÊÕÁô +3 Ò»¿Åmeteor 2026-03-13 3/150 2026-03-14 10:54 by peike
[¿¼ÑÐ] 330Çóµ÷¼Á +3 ?½´¸øµ÷¼Á¹òÁË 2026-03-13 3/150 2026-03-14 10:13 by JourneyLucky
[¿¼ÑÐ] 321Çóµ÷¼Á +3 CUcat 2026-03-10 3/150 2026-03-14 00:25 by JourneyLucky
[¿¼ÑÐ] 0703»¯Ñ§Çóµ÷¼Á +7 Â̶¹ÇÛ²ËÌÀ 2026-03-12 7/350 2026-03-13 17:25 by njzyff
[¿¼ÑÐ] Çóµ÷¼Á +7 18880831720 2026-03-11 7/350 2026-03-13 16:10 by JourneyLucky
[¿¼ÑÐ] 295Çóµ÷¼Á +3 Сذ×ÐÖ­ 2026-03-12 3/150 2026-03-13 15:17 by vgtyfty
[¿¼ÑÐ] 0856»¯Ñ§¹¤³Ì280·ÖÇóµ÷¼Á +4 shenzxsn 2026-03-11 4/200 2026-03-13 11:55 by ymwdoctor
[¿¼ÑÐ] Çóµ÷¼Á ×ÊÔ´Óë»·¾³ 285 +3 δÃû¿¼Éú 2026-03-10 3/150 2026-03-13 10:31 by houyaoxu
[¿¼ÑÐ] ¹¤¿Æ0856ר˶»¯Ñ§¹¤³Ì269Äܵ÷¼ÁÂð +10 ÎÒÏë¶ÁÑÐ11 2026-03-10 10/500 2026-03-13 10:14 by Yuyi.
[¿¼ÑÐ] 085600 ²ÄÁÏÓ뻯¹¤ 295 Çóµ÷¼Á +10 dream¡­¡­ 2026-03-10 12/600 2026-03-12 13:46 by dream¡­¡­
[¿¼ÑÐ] ÊÕµ÷¼Á +7 µ÷¼ÁµÄ¿¼ÑÐѧÉú 2026-03-10 7/350 2026-03-10 17:57 by Âó²èÌÀÔ²
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û