²é¿´: 3266  |  »Ø¸´: 5

ljw4010

ÈÙÓþ°æÖ÷ (Ö°Òµ×÷¼Ò)

Сľ³æ´ÓÍ·ÅɽÌÖ÷

[½»Á÷] CASTEP¼ÆËãPDOSµÄ·½·¨ ÒÑÓÐ3È˲ÎÓë

1.¼ÆËã֮ǰÏȹ´Ñ¡pdos
2.¼ÆËãÍê³ÉÖ®ºó£¬´ò¿ªº¬ÓеÚÒ»²¼ÀïÔ¨ÇøµÄÓÅ»¯½á¹¹3Dͼ
3.µãÑ¡ÖÐÒª»­pdosµÄÔ­×Ó
4.ÔÚAnalysisÖй´Ñ¡s p d f µÈ¿ÉÑ¡Ïî
5.µãview
byljw4010
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

Materials-studio ËÑ×ÊÁÏ

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

²»ÒªËµ»°
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

csni

гæ (ÕýʽдÊÖ)

2Â¥2014-08-14 20:49:18
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ljw4010

ÈÙÓþ°æÖ÷ (Ö°Òµ×÷¼Ò)

ÒýÓûØÌû:
2Â¥: Originally posted by csni at 2014-08-14 20:49:18
xiexie

3Â¥2014-08-14 21:01:12
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

sunboyccc

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
Ò»¸öÆðµã£¬ÓÐÁË¿ªÊ¼£¬ÂýÂý³¤Â·ÓÐÖî¶à¾ªÆæµÈ×ÅÄã
4Â¥2014-08-15 12:58:11
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ljw4010

ÈÙÓþ°æÖ÷ (Ö°Òµ×÷¼Ò)

Сľ³æ´ÓÍ·ÅɽÌÖ÷

ÒýÓûØÌû:
4Â¥: Originally posted by sunboyccc at 2014-08-15 12:58:11
Ò»¸öÆðµã£¬ÓÐÁË¿ªÊ¼£¬ÂýÂý³¤Â·ÓÐÖî¶à¾ªÆæµÈ×ÅÄã

ºÇºÇ£¬right~
²»ÒªËµ»°
5Â¥2014-08-15 16:24:10
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
6Â¥2014-08-17 15:50:15
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ ljw4010 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] »¯Ñ§¹¤³Ì321·ÖÇóµ÷¼Á +12 ´óÃ×·¹£¡ 2026-03-15 15/750 2026-03-18 08:39 by ÐÇ¿ÕÐÇÔÂ
[¿¼²©] 26²©Ê¿ÉêÇë +3 1042136743 2026-03-17 3/150 2026-03-17 23:30 by ÇáËɲ»ÉÙËæ
[¿¼ÑÐ] 341Çóµ÷¼Á +5 µ·µ°ÖíÖí 2026-03-11 7/350 2026-03-17 19:09 by µ·µ°ÖíÖí
[¿¼ÑÐ] 268Çóµ÷¼Á +8 Ò»¶¨ÓÐѧÉÏ- 2026-03-14 9/450 2026-03-17 17:47 by laoshidan
[¿¼ÑÐ] ²ÄÁϹ¤³Ìר˶274Ò»Ö¾Ô¸211Çóµ÷¼Á +6 Ñ¦ÔÆÅô 2026-03-15 6/300 2026-03-17 11:05 by ѧԱh26Tkc
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤304ÇóBÇøµ÷¼Á +7 Çñgl 2026-03-11 8/400 2026-03-17 09:36 by ŬÁ¦Ñ§Ï°×¬²ÊÀñ
[¿¼ÑÐ] ¿¼Ñе÷¼Á +3 ä¿ya_~ 2026-03-17 5/250 2026-03-17 09:25 by Winj1e
[¿¼ÑÐ] Ò»Ö¾Ô¸985£¬±¾¿Æ211£¬0817»¯Ñ§¹¤³ÌÓë¼¼Êõ319Çóµ÷¼Á +5 Liwangman 2026-03-15 5/250 2026-03-16 17:10 by ÎҵĴ¬Îҵĺ£
[¿¼ÑÐ] 321Çóµ÷¼Á +5 ´óÃ×·¹£¡ 2026-03-15 5/250 2026-03-16 16:33 by houyaoxu
[¿¼ÑÐ] 070303Ò»Ö¾Ô¸Î÷±±´óѧѧ˶310ÕÒµ÷¼Á +5 dÈçÔ¸Éϰ¶ 2026-03-12 8/400 2026-03-16 15:19 by peike
[¿¼ÑÐ] ÇóÀÏʦÊÕÁôµ÷¼Á +4 jiang½ª66 2026-03-14 5/250 2026-03-15 20:11 by Winj1e
[¿¼ÑÐ] 297Ò»Ö¾Ô¸ÉϽ»085600Çóµ÷¼Á +5 Ö¸¼â°ËǧÀï 2026-03-14 5/250 2026-03-14 17:26 by a²»Ò×
[¿¼ÑÐ] ¡¾0703»¯Ñ§µ÷¼Á¡¿-Ò»Ö¾Ô¸»ªÖÐʦ·¶´óѧ-Áù¼¶475 +5 Becho359 2026-03-11 5/250 2026-03-14 11:35 by ŶŶ123
[¿¼ÑÐ] 290Çóµ÷¼Á +9 ADT 2026-03-11 9/450 2026-03-13 21:55 by JourneyLucky
[¿¼ÑÐ] 304Çóµ÷¼Á +7 7712b 2026-03-13 7/350 2026-03-13 21:42 by peike
[¿¼ÑÐ] 0703»¯Ñ§Ò»Ö¾Ô¸211 ×Ü·Ö320Çóµ÷¼Á +5 Â꿨°Í¿¨°¡¹þ 2026-03-11 5/250 2026-03-13 21:40 by JourneyLucky
[¿¼ÑÐ] ËÄ´¨´óѧ085601²ÄÁϹ¤³Ìר˶ ³õÊÔ294Çóµ÷¼Á +4 ×£ÎÒÃǺÃÔÚ¶¬Ìì 2026-03-11 4/200 2026-03-13 21:39 by peike
[¿¼ÑÐ] 26µ÷¼Á/²ÄÁÏ¿ÆÑ§Ó빤³Ì/×Ü·Ö295/ÇóÊÕÁô +9 2026µ÷¼ÁÏÀ 2026-03-12 9/450 2026-03-13 20:46 by 18595523086
[¿¼ÑÐ] Ò»Ö¾Ô¸211»¯Ñ§Ñ§Ë¶310·ÖÇóµ÷¼Á +8 ŬÁ¦·Ü¶·112 2026-03-12 9/450 2026-03-13 15:41 by JourneyLucky
[¿¼ÑÐ] ¹¤¿Æµ÷¼Á +4 Jiang191123£¡ 2026-03-11 4/200 2026-03-13 15:15 by Miko19
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û