²é¿´: 6547  |  »Ø¸´: 7

ÄäÃû

Óû§×¢Ïú (СÓÐÃûÆø)

±¾Ìû½öÂ¥Ö÷¿É¼û

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÒÑÔÄ   ͬ·½Ïò¹ã²¥   ÉêÇë1STÇ¿Ìû   »Ø¸´´ËÂ¥   ±à¼­   ²é¿´ÎÒµÄÖ÷Ò³

ÄäÃû

Óû§×¢Ïú (СÓÐÃûÆø)

±¾Ìû½öÂ¥Ö÷¿É¼û
2Â¥2013-11-13 18:52:25
ÒÑÔÄ   ÉêÇë1STÇ¿Ìû   »Ø¸´´ËÂ¥   ±à¼­   ²é¿´ÎÒµÄÖ÷Ò³

jpchou

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
inuyasha001: ½ð±Ò+20, ¡ï¡ï¡ï¡ï¡ï×î¼Ñ´ð°¸, Êǰ¡ ÎÒÒ²¸ÕÖªµÀ~~~лл£¡ 2013-11-14 14:45:33
ÒýÓûØÌû:
2Â¥: Originally posted by inuyasha001 at 2013-11-13 18:52:25
²¹³äһϣº
OUTCAR×îÏÂÃæµÄÄÚÈÝÊÇ£º
-------------->
PAW_PBE Mg 05Jan2001                   :
energy of atom  1       EATOM=  -23.0029
kinetic energy error for atom=    0.0013 (will be added t ...

POSCAR£º
SYSTEM 2*2*1
   20.4131
    1.0000    0.0000    0.0000
    0.0000    0.5863    0.0000
    0.0000    0.0000    0.2329
    32   <----
    16   <----    ß@Ñe£¬²»ÄÜ·Ö³ÉÈýÐÐ~ÒªÒ»ÐÐŒ‘Íê -->  32  16  64
    64   <----
Direct
3Â¥2013-11-14 00:40:45
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Wanidamm

гæ (СÓÐÃûÆø)

ÇëÎÊ£¬POSCARûÓÐÎÊÌ⣬Ҳ³öÏÖÁËÕâÑùµÄ±¨´íÊÇʲôԭÒòÄØ£¿
4Â¥2018-03-23 09:32:38
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

375642546

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
4Â¥: Originally posted by Wanidamm at 2018-03-23 09:32:38
ÇëÎÊ£¬POSCARûÓÐÎÊÌ⣬Ҳ³öÏÖÁËÕâÑùµÄ±¨´íÊÇʲôԭÒòÄØ£¿

½â¾öÁËÂð£¿ÎÒÒ²Óöµ½ÁËͬÑùµÄÎÊÌâ¡£

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

5Â¥2018-09-29 16:53:29
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

·ÎÞÑÄ

гæ (ÕýʽдÊÖ)

Ëͺ컨һ¶ä
ÒýÓûØÌû:
5Â¥: Originally posted by 375642546 at 2018-09-29 16:53:29
½â¾öÁËÂð£¿ÎÒÒ²Óöµ½ÁËͬÑùµÄÎÊÌâ¡£...

½â¾öÁËô£¿Â¥Ö÷
6Â¥2019-03-08 16:31:30
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

·ÎÞÑÄ

гæ (ÕýʽдÊÖ)

Ëͺ컨һ¶ä
ÒýÓûØÌû:
5Â¥: Originally posted by 375642546 at 2018-09-29 16:53:29
½â¾öÁËÂð£¿ÎÒÒ²Óöµ½ÁËͬÑùµÄÎÊÌâ¡£...

½â¾öÁËô£¿Â¥Ö÷
7Â¥2019-03-08 16:32:04
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
±¾ÌûÄÚÈݱ»ÆÁ±Î

8Â¥2020-08-09 09:29:49
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ inuyasha001 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 341Çóµ÷¼Á +5 µ·µ°ÖíÖí 2026-03-11 7/350 2026-03-17 19:09 by µ·µ°ÖíÖí
[¿¼ÑÐ] ¿¼Ñл¯Ñ§Ñ§Ë¶µ÷¼Á£¬Ò»Ö¾Ô¸985 +4 ÕÅvvvv 2026-03-15 6/300 2026-03-17 17:15 by ruiyingmiao
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤Çóµ÷¼Á +5 Ð÷ÐÒÓë×Ó 2026-03-17 5/250 2026-03-17 16:40 by laoshidan
[¿¼ÑÐ] Çóµ÷¼Á£¬×Ü·Ö315£¬¿¼µÄÉúÎïÒ½Ò©£¬Ò»Ö¾Ô¸ºþÄÏʦ·¶´óѧ¡£µ÷¼Áµ½ÈκÎרҵ¶¼¿ÉÒÔ +4 С¶¡Ïë½ø²½ 2026-03-11 5/250 2026-03-17 16:05 by ÍâÐÇÎÄÃ÷
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤×¨Ë¶µ÷¼Á +5 heming3743 2026-03-16 5/250 2026-03-17 14:03 by Ó¸ÒÌ«¼àÍõ¹«¹«
[¿¼ÑÐ] 278Çóµ÷¼Á +3 Yy7400 2026-03-13 3/150 2026-03-17 08:24 by laoshidan
[¿¼ÑÐ] 283Çóµ÷¼Á +3 Ìý·ç¾ÍÊÇÓꣻ 2026-03-16 3/150 2026-03-17 07:41 by ÈÈÇéɳĮ
[¿¼ÑÐ] ҩѧ383 Çóµ÷¼Á +3 ҩѧchy 2026-03-15 4/200 2026-03-16 20:51 by Ôª×Ó^0^
[¿¼ÑÐ] 326Çóµ÷¼Á +4 ŵ±´¶û»¯Ñ§½±êéê 2026-03-15 7/350 2026-03-16 17:11 by ŵ±´¶û»¯Ñ§½±êéê
[¿¼ÑÐ] 070303Ò»Ö¾Ô¸Î÷±±´óѧѧ˶310ÕÒµ÷¼Á +5 dÈçÔ¸Éϰ¶ 2026-03-12 8/400 2026-03-16 15:19 by peike
[¿¼ÑÐ] 085601²ÄÁϹ¤³Ì315·ÖÇóµ÷¼Á +3 yang_0104 2026-03-15 3/150 2026-03-15 10:58 by peike
[¿¼ÑÐ] 297Ò»Ö¾Ô¸ÉϽ»085600Çóµ÷¼Á +5 Ö¸¼â°ËǧÀï 2026-03-14 5/250 2026-03-14 17:26 by a²»Ò×
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á +4 z1z2z3879 2026-03-14 5/250 2026-03-14 16:30 by JourneyLucky
[¿¼ÑÐ] 341Çóµ÷¼Á +3 ·¬ÇÑÍ·--- 2026-03-10 3/150 2026-03-13 23:07 by JourneyLucky
[¿¼ÑÐ] Çó²ÄÁϵ÷¼Á 085600Ó¢Ò»Êý¶þ×Ü·Ö302 ǰÈý¿Æ235 ¾«Í¨»úÆ÷ѧϰ Ò»Ö¾Ô¸¹þ¹¤´ó +4 ÁÖyaxin 2026-03-12 4/200 2026-03-13 22:04 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] £¨081700£©»¯Ñ§¹¤³ÌÓë¼¼Êõ-298·ÖÇóµ÷¼Á +12 11À²À²À² 2026-03-11 35/1750 2026-03-13 21:25 by JourneyLucky
[¿¼ÑÐ] ¹¤¿Æ278·ÖÇóµ÷¼Á +5 ÖÜÂýÈȰ¡ 2026-03-12 7/350 2026-03-13 15:49 by JourneyLucky
[¿¼ÑÐ] ¹¤¿Æ²ÄÁÏ085601 279Çóµ÷¼Á +8 À§ÓÚÐdz¿ 2026-03-12 10/500 2026-03-13 15:42 by ms629
[¿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
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û