±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1494  |  »Ø¸´: 12
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

lzlgcdc

½ð³æ (ÕýʽдÊÖ)

[ÇóÖú] vasp°²×°ÁË ¹ØÓÚÔõôÓá­¡­ÇóÖ¸µ¼

ÏÖÔÚÔÚvasp5.2ÏÂmake ÏÖʵ vaspÊÇ×îеĠ ÊDz»ÊÇ˵Ã÷×°ºÃÁË
INCAR, POSCAR, kPOINTS ºÍPOTCAR ÕâЩÎļþ¼Ð¶¼ÊÇ×Ô¼º½¨µÄÂð£¿ÊDz»ÊÇ»¹ÒªØÍÊÆ¿â°¡Ö®ÀàµÄ  ÎÒÖ»ÊÇÄÃÔ´Âë±àÒëÁËvasp    ÏÂÒ»²½¾Í²»»áÁË  

¸ßÊÖÇóÖ¸µ¼
»Ø¸´´ËÂ¥

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

colinchen2

½ð³æ (СÓÐÃûÆø)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
franch: ½ð±Ò+2, лл»ØÌû½»Á÷£¬ 2012-10-29 15:01:58
lzlgcdc: ½ð±Ò+2, ¡ï¡ï¡ïºÜÓаïÖú, лл´óÏÀ 2013-04-19 17:23:18
ØÍÊÆ¿âÊÇÁíÍâµÄ£¬POTCARÒªÓõ½

ÏÈ¿´ºîÀÏʦµÄÊֲᣬÓиö»ù±¾¿ò¼Ü¡£

ÓÐЩϸ½ÚµÄ»¹ÊÇÒª¿´manual£¡ vasp¹ÙÍøÉϾÍÓеģ¡
4Â¥2012-10-27 14:24:37
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 13 ¸ö»Ø´ð

ice_rain

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
liliangfang: ½ð±Ò+1, ллָ½Ì 2012-10-27 09:16:57
lzlgcdc: ½ð±Ò+2, ¡ï¡ï¡ïºÜÓаïÖú, лл´óÏÀ 2013-04-19 17:22:31
ÄãÖ»ÊÇmake Ò»ÏµĻ°£¬ÓпÉÄÜÊÇ´®ÐУ¬Óõϰ£¬INCAR, POSCAR, kPOINTS ºÍPOTCAR ½¨ºÃÖ®ºó£¬Èç¹û²»ÊDz¢ÐÐÖ±½ÓÔËÐÐ vasp  ¾ÍÐа¡.Èç¹ûÓõ½²¢ÐУ¬ÄǾÍmpirun ¡£¡£¡£¡£ £¬Èç¹ûÓöÓÁÐÌá½»Ôòд¸ö¶ÔÁнű¾¡£ ÏëÔõôÓþÍÔõôÓá£
2Â¥2012-10-27 00:35:09
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

hs0218

½ð³æ (ÕýʽдÊÖ)

DDr.

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
franch: ½ð±Ò+2, лл»ØÌû½»Á÷£¬ 2012-10-29 15:01:50
lzlgcdc: ½ð±Ò+1, ¡ï¡ï¡ïºÜÓаïÖú, лл´óÏÀ 2013-04-19 17:22:49
¿´ºîÖù·åÀÏʦµÄÊֲᰡ£¡
Сľ³æºÜ¶à×ÊÔ´µÄ
·ÂþÂþÆäÐÞÔ¶Ùâ
3Â¥2012-10-27 14:21:56
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

strongers

гæ (³õÈëÎÄ̳)


¡ï ¡ï
franch: ½ð±Ò+2, лл»ØÌû½»Á÷£¬ 2012-10-29 15:02:10
ÔÚÍøÉÏËÑË÷һϰ²×°²½Ö裬ÏȰ²×°ÉÏ¡£
È»ºóÔÚѧÔõôÓá£
http://muchong.com/bbs/viewthread.php?tid=4340868&fpage=9
°´Õâ¸ö°²°É
5Â¥2012-10-28 15:59:54
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 085602µ÷¼Á ³õÊÔ×Ü·Ö335 +7 19123253302 2026-04-05 7/350 2026-04-05 13:26 by lbsjt
[¿¼ÑÐ] ²ÄÁÏ0856 Ó¢Ò»Êý¶þ 323 Çóµ÷¼Á +11 Ô¬sy 2026-04-01 11/550 2026-04-05 11:30 by ·çÓêÎÞÇç
[¿¼ÑÐ] Ò»Ö¾Ô¸ ÄϾ©º½¿Õº½Ìì´óѧ £¬080500²ÄÁÏ¿ÆÑ§Ó빤³Ìѧ˶ +8 @taotao 2026-03-30 8/400 2026-04-05 11:15 by ·çÓêÎÞÇç
[¿¼ÑÐ] 344²ÄÁÏÓ뻯¹¤µ÷¼Á +9 µ÷¼ÁÉϰ¶«^ 2026-04-03 9/450 2026-04-04 23:10 by happyddm
[¿¼ÑÐ] Ò»Ö¾Ô¸211£¬»¯Ñ§Ñ§Ë¶£¬310·Ö£¬±¾¿ÆÖصãË«·Ç£¬Çóµ÷¼Á +11 ŬÁ¦·Ü¶·112 2026-04-04 11/550 2026-04-04 20:51 by À¶ÔÆË¼Óê
[¿¼ÑÐ] µ÷¼Á +4 ÊÇ¿ÉÀÖ²»ÊÇ¿ÉÀÖ 2026-04-04 4/200 2026-04-04 19:41 by ÌÆãå¶ù
[¿¼ÑÐ] 333Çóµ÷¼Á +9 °¢¿ÆÒÝ 2026-03-31 9/450 2026-04-04 18:25 by macy2011
[¿¼ÑÐ] 309Çóµ÷¼Á +6 ÁõÁõÁõ1231 2026-04-02 7/350 2026-04-04 13:41 by liucky
[¿¼ÑÐ] 311Çóµ÷¼Á +20 zchqwer 2026-04-01 22/1100 2026-04-03 22:09 by lglzsd
[¿¼ÑÐ] 292Çóµ÷¼Á +21 ÊÇåû×ÓÒ²ÊÇÑÐ×Ó 2026-03-30 22/1100 2026-04-03 21:44 by qlm5820
[¿¼ÑÐ] 266·Ö£¬Çó²ÄÁÏÏà¹Ø×¨Òµµ÷¼Á +13 ÍÛºôºßºôºß 2026-03-30 15/750 2026-04-03 15:24 by arrow8852
[¿¼ÑÐ] 081200-11408-276ѧ˶Çóµ÷¼Á +5 ´Þwj 2026-04-03 5/250 2026-04-03 15:06 by arrow8852
[¿¼ÑÐ] 366Çóµ÷¼Á +7 sbdnd 2026-04-03 7/350 2026-04-03 12:40 by cymywx
[¿¼ÑÐ] 320Çóµ÷¼Á +3 ũҵ¹¤³ÌÓëÐÅÏ¢¼ 2026-04-03 3/150 2026-04-03 11:40 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] Çóµ÷¼Á£¡ÉúÎïÓëҽҩר˶ +4 Äæ×ªÂ½ÏÈÉú 2026-04-01 5/250 2026-04-03 08:33 by Jaylen.
[¿¼ÑÐ] 295Çóµ÷¼Á +7 Ô¸ÂÃ;ÓÀԶ̹Ȼ 2026-04-02 7/350 2026-04-03 08:22 by fangshan711
[¿¼ÑÐ] ¡¾Çóµ÷¼Á¡¿ÐÂÄÜÔ´²ÄÁϱ¾¿Æ£¬Ò»Ö¾Ô¸211£¬³õÊÔ321 +6 Çóµ÷¼ÁѧУ£¬ 2026-04-02 6/300 2026-04-02 09:41 by Çç¿Õ210210
[¿¼ÑÐ] 303·Ö 0807ѧ˶Çóµ÷¼Á +3 TYC3632 2026-04-01 3/150 2026-04-01 19:24 by lwk2004
[¿¼ÑÐ] µ÷¼ÁÉêÇë +8 ÕÅÕÅÕÅÕÅzy 2026-03-31 9/450 2026-04-01 08:29 by zjbkx
[¿¼ÑÐ] ÍÁľ304Çóµ÷¼Á +5 ¶¥¼¶²Á²Á 2026-03-31 5/250 2026-04-01 08:15 by fdcxdystjk£¤
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û