²é¿´: 2946  |  »Ø¸´: 9
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

ym23

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

[½»Á÷] ¡¾ÇóÖú¡¿ÕýÔòÊØºãØÍÊÆºÍ³¬ÈíØÍÊÆ ÒÑÓÐ8È˲ÎÓë

¸÷λ´óÏÀ£º

Ultrasoft pseudopotenial ºÍ norm-conserving pseudopotential ÔÚÓÃCatep¼ÆËã½ðÊôµÄµçºÉÃܶȣ¬Äĸö¸ü×¼È·Ò»Ð©ÄØ£¿
¶þÕßÓÐÊ²Ã´Çø±ðÄØ£¿
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

µÚÒ»ÐÔÔ­Àí

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

²©¹ÛԼȡ¡¢ºñ»ý±¡·¢---±ÚÁ¢Ç§Øð¡¢ÎÞÓûÔò¸Õ
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

chensxxy

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
Ò»°ã˵À´£º³¬ÈíØÍÊÆ¿ì£¡
×ð³ç×ÔÈ»£¬¾´Î·ÉúÃü£¡
8Â¥2010-09-06 16:13:33
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 10 ¸ö»Ø´ð

lfhuang

ľ³æ (ÖøÃûдÊÖ)

¡ï
xiaohunhun(½ð±Ò+1):xiexie 2010-05-25 19:20:35
ym23(½ð±Ò+1): 2010-05-26 09:32:30
ÏñÕâÖÖÎÊÌâ»ù±¾Éϲ»´æÔÚÄĸö׼һЩ£¬½á¹û¶¼»áºÜºÃ¡£
ÏȽøÊ¹ÒÛ²ÄÁϼÆË㣨https://aidme.nimte.ac.cn£©
2Â¥2010-05-25 15:23:50
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

×ÓÐéÎÚÓÐ5388

ľ³æ (ÕýʽдÊÖ)

¡ï
xiaohunhun(½ð±Ò+1):xiexie 2010-05-25 19:20:44
ym23(½ð±Ò+1): 2010-05-26 09:34:20
³¬ÈíØÍÊÆÒª±ÈÄ£ÊØºãØÍÊÆ¿ì
·¿ÎÞÒ»¼ä£¬µØÎÞһĶ£¬ÉíÎÞ·ÖÎÄ£¬ÐØÎÞ´óÖ¾¡£
3Â¥2010-05-25 15:24:57
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ym23

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
Originally posted by ×ÓÐéÎÚÓÐ5388 at 2010-05-25 15:24:57:
³¬ÈíØÍÊÆÒª±ÈÄ£ÊØºãØÍÊÆ¿ì

ÎÒ¼ÆËãµÄ½á¹û¸úÄã˵µÄÕýºÃÏà·´£¬Ä£Êغã±È³¬Èí¿ì£¬Ò»°ã¶¼¿ì1/2ʱ¼ä£¬ÊÇÎªÊ²Ã´ÄØ£¿
²©¹ÛԼȡ¡¢ºñ»ý±¡·¢---±ÚÁ¢Ç§Øð¡¢ÎÞÓûÔò¸Õ
4Â¥2010-05-26 09:34:14
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼²©] 26É격 +3 °ËÑ®ËÙÀÀ 2026-03-16 3/150 2026-03-17 11:40 by nxgogo
[¿¼ÑÐ] ²ÄÁÏר˶306Ó¢Ò»Êý¶þ +5 z1z2z3879 2026-03-16 7/350 2026-03-17 11:07 by ѧԱh26Tkc
[¿¼ÑÐ] 289Çóµ÷¼Á +6 ²½´¨¿á×Ï123 2026-03-11 6/300 2026-03-17 10:23 by Sammy2
[¿¼ÑÐ] ¿¼Ñе÷¼Á +3 ä¿ya_~ 2026-03-17 5/250 2026-03-17 09:25 by Winj1e
[¿¼ÑÐ] 304Çóµ÷¼Á +4 ahbd 2026-03-14 4/200 2026-03-16 16:48 by ÎҵĴ¬Îҵĺ£
[¿¼ÑÐ] ÖпÆÔº²ÄÁÏ273Çóµ÷¼Á +4 yzydy 2026-03-15 4/200 2026-03-16 15:59 by Gaodh_82
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤Çóµ÷¼Á +3 Ϊѧ666 2026-03-16 3/150 2026-03-16 15:09 by ¼ÓºÅ+
[¿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] 326Çóµ÷¼Á +3 mlpqaz03 2026-03-15 3/150 2026-03-16 07:33 by Iveryant
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤ 323 Ó¢Ò»+Êý¶þ+Îﻯ£¬Ò»Ö¾Ô¸£º¹þ¹¤´ó ±¾È˱¾¿ÆË«Ò»Á÷ +4 ×ÔÓɵÄ_·ÉÏè 2026-03-13 5/250 2026-03-14 19:39 by hmn_wj
[¿¼ÑÐ] 265Çóµ÷¼Á +4 Íþ»¯±ý07 2026-03-12 4/200 2026-03-14 17:23 by userper
[¿¼ÑÐ] ²ÄÁϹ¤³Ì,326·Ö£¬Çóµ÷¼Á +6 KRSLSR 2026-03-10 6/300 2026-03-13 23:47 by JourneyLucky
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤£¨0856£©304ÇóBÇøµ÷¼Á +6 Çñgl 2026-03-12 7/350 2026-03-13 23:24 by Çñgl
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á +4 ¿ìÀÖµÄÏã½¶ 2026-03-11 4/200 2026-03-13 22:41 by JourneyLucky
[¿¼ÑÐ] 315Çóµ÷¼Á +9 СÑòСÑò_ 2026-03-11 10/500 2026-03-13 21:13 by SXNUÀîÀÏʦ
[¿¼ÑÐ] 310Çóµ÷¼Á +3 ¡¾ÉÏÉÏÇ©¡¿ 2026-03-11 3/150 2026-03-13 16:16 by JourneyLucky
[¿¼ÑÐ] 308Çóµ÷¼Á +3 ÊÇLupa°¡ 2026-03-12 3/150 2026-03-13 14:30 by Çóµ÷¼Ázz
[ÂÛÎÄͶ¸å] Ͷ¸åÎÊÌâ 5+4 Ðǹâ²ÓÀÃxt 2026-03-12 6/300 2026-03-13 14:17 by god_tian
[¿¼ÑÐ] 270Çóµ÷¼Á 085600²ÄÁÏÓ뻯¹¤×¨Ë¶ +3 YXCT 2026-03-11 3/150 2026-03-13 10:13 by houyaoxu
[¿¼ÑÐ] 283Çóµ÷¼Á£¬²ÄÁÏ¡¢»¯¹¤½Ô¿É +8 ËÕ´òË®7777 2026-03-11 10/500 2026-03-13 09:06 by Linda Hu
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û