±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1795  |  »Ø¸´: 14

18ºÅ

гæ (СÓÐÃûÆø)

ÒýÓûØÌû:
10Â¥: Originally posted by dxcharlary at 2014-10-02 21:26:16
EDIFFG£ºÕýÖµµÄʱºòÊÇÄÜÁ¿ÊÕÁ²±ê×¼£¬¸ºÖµµÄʱºòÊÇÁ¦µÄÊÕÁ²±ê×¼¡£ÇëÏêϸ¿´Êֲ᣺http://cms.mpi.univie.ac.at/vasp/vasp/vasp.html
ÉèÖÃEDIFFGÊÇEDIFFµÄ100±¶×óÓÒ¡£ÁíÍâÎÒ²»½¨ÒéËãÕâô´ó£¬ÒòΪÄÉÃ×ÏßÄ㻹Ҫ¼ÓÕæ¿Õ²ã ...

Ô­À´Èç´Ë¡£ÎÒÈ¥¿´¿´Êֲᡣ

´óСºÃÏñûʲô°ì·¨£¬ÖÜÆÚµ¥Ôª¾ÍÊÇÕâô´ó¡£
11Â¥2014-10-03 08:29:02
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

18ºÅ

гæ (СÓÐÃûÆø)

ÒýÓûØÌû:
10Â¥: Originally posted by dxcharlary at 2014-10-02 21:26:16
EDIFFG£ºÕýÖµµÄʱºòÊÇÄÜÁ¿ÊÕÁ²±ê×¼£¬¸ºÖµµÄʱºòÊÇÁ¦µÄÊÕÁ²±ê×¼¡£ÇëÏêϸ¿´Êֲ᣺http://cms.mpi.univie.ac.at/vasp/vasp/vasp.html
ÉèÖÃEDIFFGÊÇEDIFFµÄ100±¶×óÓÒ¡£ÁíÍâÎÒ²»½¨ÒéËãÕâô´ó£¬ÒòΪÄÉÃ×ÏßÄ㻹Ҫ¼ÓÕæ¿Õ²ã ...

ÎÒÃ÷°×ÁË£¬µ«ÊÇΪʲôEDIFF²»ÊÕÁ²£¬Õâ¸öÎÒÓ¦¸ÃÔõô°ì£¿
12Â¥2014-10-03 20:52:52
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

iamikaruk

ľ³æ (ÖøÃûдÊÖ)

¡ï ¡ï ¡ï
franch: ½ð±Ò+3, лл»ØÌû½»Á÷¡£¡£¡£ 2014-10-06 23:35:08
18ºÅ: »ØÌûÖö¥ 2014-10-15 22:03:26
ALGOÉèÖÃÁËô£¿
ÊÔÊÔ»»³ÉALGO=FAST»òÕßIALGO=48£¬×î½ü×öµÄÒ»¸öÌåϵĬÈϵÄIALGO=38µç×Ó²½Ã»·¨ÊÕÁ²£¬»»³ÉIALGO=48˳Àû³ÚÔ¥
[img]http://osu.ppy.sh/stat2/iamikaruk-0.png[/img]
13Â¥2014-10-03 20:56:00
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

dxcharlary

ר¼Ò¹ËÎÊ (Ö°Òµ×÷¼Ò)

¡ï ¡ï ¡ï
franch: ½ð±Ò+3, лл»ØÌû½»Á÷¡£¡£¡£ 2014-10-06 23:35:14
ÒýÓûØÌû:
12Â¥: Originally posted by 18ºÅ at 2014-10-03 20:52:52
ÎÒÃ÷°×ÁË£¬µ«ÊÇΪʲôEDIFF²»ÊÕÁ²£¬Õâ¸öÎÒÓ¦¸ÃÔõô°ì£¿...

DFT²»ÊÕÁ²µÄ»°£¬¿ÉÒÔÊÔÊÔ¸ÄALGO£¬»òÕßAMIXÖ®ÀàµÄ¡£ÓÐ×ÔÐýµÄ»°£¬µ÷ϳõʼ×ÔÐý¡£
²»¹ýÎҵľ­ÑéÊÇ»ù±¾Ã»É¶Óã¬ÕâÍæÒâûʲôºÃ°ì·¨£¬ÓÈÆäÊÇÓÐÕæ¿Õ²ãµÄ´ó×ÔÐýÌåϵ¡£
14Â¥2014-10-04 10:17:07
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

sungjen

Òø³æ (ÖøÃûдÊÖ)

ÇëÎÊÄãÔõô²é¿´³ÚÔ¥ÊÇ·ñ´ïµ½¾«¶È£¿Èç¹û³ÚÔ¥ÍêÁË  ²»¿ÉÄÜ»¹»á³öÏÖ´ï²»µ½¾«¶È°¡
Ï£ÍûÓÐÒ»Ìì³ÉΪ´óÉñ
15Â¥2014-10-04 10:49:07
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ 18ºÅ µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 284Çóµ÷¼Á +11 junqihahaha 2026-03-26 12/600 2026-03-27 04:37 by wxiongid
[¿¼ÑÐ] 349Çóµ÷¼Á +5 ½Ü˹ËþÀï˹ 2026-03-21 5/250 2026-03-27 00:31 by wxiongid
[¿¼ÑÐ] 333Çóµ÷¼Á +6 wfh030413@ 2026-03-23 6/300 2026-03-26 22:45 by ѧԱ8dgXkO
[¿¼ÑÐ] ÉúÎïѧ 296 Çóµ÷¼Á +4 ¶ä¶ä- 2026-03-26 6/300 2026-03-26 19:01 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 292Çóµ÷¼Á +9 ¶ì¶ì¶ì¶î¶î¶î¶î¶ 2026-03-25 10/500 2026-03-26 16:27 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] ¿¼Ñе÷¼Á +8 СÀ¯ÐÂ±Ê 2026-03-26 8/400 2026-03-26 16:18 by dick_runner
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©»¯¹¤´óѧ²ÄÁÏÓ뻯¹¤£¨085600£©296Çóµ÷¼Á +9 µ¾ÆÞС±à 2026-03-26 9/450 2026-03-26 16:16 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 26¿¼ÑÐ-291·Ö-ÏÃÃÅ´óѧ£¨085601£©-ÈáÐÔµç×ÓѧԺ²ÄÁϹ¤³ÌרҵÇóµ÷¼Á +3 min3 2026-03-24 4/200 2026-03-25 18:22 by xcjcqu
[¿¼ÑÐ] 311Çóµ÷¼Á +3 ¶¬Ê®Èý 2026-03-24 3/150 2026-03-24 21:31 by peike
[Óлú½»Á÷] ÓлúºÏ³ÉÇóÖú 20+3 FENGSHUJEI 2026-03-23 5/250 2026-03-24 19:31 by 88817753
[¿¼ÑÐ] »¯¹¤×¨Ë¶Çóµ÷¼Á +3 questionÍì·ç 2026-03-24 3/150 2026-03-24 18:48 by jhhcooi
[¿¼ÑÐ] Çóµ÷¼Á +6 ÑÐÑУ¬½Óµç»° 2026-03-24 7/350 2026-03-24 17:01 by barlinike
[¿¼ÑÐ] 344Çóµ÷¼Á +3 desto 2026-03-24 3/150 2026-03-24 10:09 by ²«»÷518
[¿¼ÑÐ] Çóµ÷¼Á +7 Ê®Èý¼ÓÓÍ 2026-03-21 7/350 2026-03-23 23:48 by ÈÈÇéɳĮ
[¿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] 284Çóµ÷¼Á +3 yanzhixue111 2026-03-23 6/300 2026-03-23 22:58 by pswait
[¿¼ÑÐ] 280·ÖÇóµ÷¼Á Ò»Ö¾Ô¸085802 +4 PUMPT 2026-03-22 7/350 2026-03-22 22:13 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á +4 ÄÝÄÝninicgb 2026-03-21 4/200 2026-03-21 18:39 by ѧԱ8dgXkO
[¿¼ÑÐ] Ò»Ö¾Ô¸Éî´ó£¬0703»¯Ñ§£¬×Ü·Ö302£¬Çóµ÷¼Á +4 ÆßÔÂ-ÆßÆß 2026-03-21 4/200 2026-03-21 18:20 by ѧԱ8dgXkO
[¿¼ÑÐ] ²ÄÁÏ 271Çóµ÷¼Á +5 Õ¹ÐÅÔÃ_ 2026-03-21 5/250 2026-03-21 17:29 by ѧԱ8dgXkO
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û