±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 22802  |  »Ø¸´: 149
¡¾½±Àø¡¿ ±¾Ìû±»ÆÀ¼Û111´Î£¬×÷Õßvalenhou001Ôö¼Ó½ð±Ò 93.4 ¸ö
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

[×ÊÔ´] ¡¾·ÖÏí¡¿ÈçºÎ×öÓÐÒâÒåµÄDFT¼ÆËã ÒÑÓÐ1È˲ÎÓë

½¨Òé×ö²ÄÁϵĵÚÒ»Ô­Àí¼ÆËãµÄ³õѧÕߣ¬¶Á¶ÁÕâÆª×ÛÊöÎÄÕ£º
Ann E Mattsson, Peter A Schultz, Michael P Desjarlais,
Thomas R Mattsson and Kevin Leung
Designing meaningful density functional theory calculations in materials science¡ªa primer
Modelling Simul. Mater. Sci. Eng. 13 (2005) R1¨CR31
http://iopscience.iop.org/0965-0393/13/1/R01/

ÁÙʱµÄÏÂÔØµØ·½£º
0965-0393_13_1_R01.pdf
http://good.gd/539303.htm
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

·ÂÕæ½¨Ä£Óë¼ÆËã µÚÒ»ÐÔÔ­Àí¼ÆËã×ÊÔ´×ܻ㠲ÄÁϼÆËãÄ£ÄâʵÓü¼ÇÉ µÚÒ»ÐÔÔ­Àí
µÚÒ»Ô­Àí×ÊÁÏ»ã±à µÚÒ»ÐÔÔ­Àí¼ÆËã-tg µÚÒ»Ô­Àí×ÊÁÏÌù ¾«»ªÌû-ºÃ×ÊÔ´
first principle µÚÒ»ÐÔÔ­ÀíÔÓ µÚÒ»ÐÔÔ­Àí ¼ÆË㻯ѧ-¸¨Öú¹¤¾ß
ºÃ×ÊÔ´ÏÂÔØ ¹ÌÌåÎïÀí-µÚÒ»ÐÔÔ­Àí vasp

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

ashitaka

гæ (СÓÐÃûÆø)


¡ï¡ï¡ï ÈýÐǼ¶,Ö§³Ö¹ÄÀø

thank you very much
23Â¥2010-06-03 08:21:50
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 150 ¸ö»Ø´ð

ËæÐÄÒâ

гæ (СÓÐÃûÆø)


¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
лл£¬Ñ§Ï°¡£É³·¢°¡
2Â¥2010-06-02 09:56:34
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

¸Ðл¥Ö÷ÕÒµÄÕâÑùºÃµÄÎÄÕ¡£
8Â¥2010-06-02 14:53:05
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
°ÑÎÄÕµÄÌâÄ¿¼Óµ½Ìû×ӵıêÌâÀïÃæµÄ»°£¬±êÌâµÄ³¤¶ÈÊÜÏÞÖÆ£¬²Ù×÷²»³É¹¦¡£
11Â¥2010-06-02 16:32:25
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¡î ÎÞÐǼ¶ ¡ï Ò»ÐǼ¶ ¡ï¡ï¡ï ÈýÐǼ¶ ¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 340Çóµ÷¼Á +3 jhx777 2026-03-27 3/150 2026-03-27 08:56 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 287Çóµ÷¼Á +7 land xuxu 2026-03-26 7/350 2026-03-27 00:44 by wxiongid
[¿¼ÑÐ] 321Çóµ÷¼Á +6 Ymlll 2026-03-24 6/300 2026-03-26 20:50 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 325Çóµ÷¼Á +3 Aoyijiang 2026-03-23 3/150 2026-03-26 20:46 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] ²ÄÁϵ÷¼Á 5+4 ÏëÒªÒ»ºøÌÒ»¨Ë® 2026-03-25 10/500 2026-03-26 19:56 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 0856µ÷¼Á +4 ÇóÇóÈÃÎÒÓÐÊé¶Á° 2026-03-26 5/250 2026-03-26 15:54 by dick_runner
[¿¼ÑÐ] 263Çóµ÷¼Á +6 yqdszhdap£­ 2026-03-22 10/500 2026-03-26 13:11 by ¹«èªåÐÒ£
[¿¼ÑÐ] 315·ÖÇóµ÷¼Á +5 26¿¼ÑÐÉϰ¶°æ26 2026-03-26 5/250 2026-03-26 12:11 by laoshidan
[¿¼ÑÐ] 309Çóµ÷¼Á +4 gajsj 2026-03-25 5/250 2026-03-26 00:27 by Dyhoer
[¿¼ÑÐ] 293Çóµ÷¼Á +7 ¼ÓÒ»Ò»¾Å 2026-03-24 7/350 2026-03-25 12:02 by userper
[¿¼ÑÐ] Ò»Ö¾Ô¸ÎäÀí085500»úеרҵ×Ü·Ö300Çóµ÷¼Á +3 an10101 2026-03-24 7/350 2026-03-25 00:00 by ɽ¹í0-
[¿¼ÑÐ] 307Çóµ÷¼Á +3 ÓàÒâÇä 2026-03-21 6/300 2026-03-24 15:03 by ÓàÒâÇä
[¿¼ÑÐ] 276Çóµ÷¼Á¡£ÓаëÄêµç³ØºÍ°ëÄê¸ß·Ö×Óʵϰ¾­Àú +9 ²ÄÁÏѧ257Çóµ÷¼Á 2026-03-23 10/500 2026-03-24 07:36 by wangy0907
[¿¼ÑÐ] Ò»Ö¾Ô¸¹ú¿Æ¹ý³ÌËù081700£¬274Çóµ÷¼Á +3 ÈýË®ÑÐ0Ë®Á¢·½ 2026-03-23 3/150 2026-03-23 23:11 by MajorWen
[¿¼ÑÐ] 336Çóµ÷¼Á +4 ÊÕµ½VS 2026-03-20 4/200 2026-03-23 19:02 by macy2011
[¿¼ÑÐ] ¹¤¿Æ0856Çóµ÷¼Á +5 ãåÎö͡͡ 2026-03-21 5/250 2026-03-23 17:56 by º£ÉªÞ±-
[¿¼ÑÐ] 298Çóµ÷¼Á +8 Éϰ¶6666@ 2026-03-20 8/400 2026-03-23 11:02 by laoshidan
[¿¼ÑÐ] 269ר˶Çóµ÷¼Á +6 ½ð¶÷±´ 2026-03-21 6/300 2026-03-22 14:31 by ColorlessPI
[¿¼ÑÐ] Ò»Ö¾Ô¸ÖØÇì´óѧ085700×ÊÔ´Óë»·¾³×Ü·Ö308Çóµ÷¼Á +7 īīĮ 2026-03-20 7/350 2026-03-21 16:36 by barlinike
[¿¼ÑÐ] 22408 344·Ö Çóµ÷¼Á Ò»Ö¾Ô¸ »ªµç¼ÆËã»ú¼¼Êõ +4 solanXXX 2026-03-20 4/200 2026-03-20 23:49 by alg094825
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û