±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 2316  |  »Ø¸´: 4

·Å¿ªÄÇλ´óÄï

гæ (ÕýʽдÊÖ)

[ÇóÖú] ÔõôÓÃVASP¼ÆËãÉù×ÓÆ×

ÔõôÓÃVASP¼ÆËãÉù×ӯף¬Ïêϸ²½ÖèÒÔ¼°´¦Àí¹ý³Ì£¬ÇóÖú
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

ÁõÊ˳¿

ľ³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
franch: ½ð±Ò+2, лл»ØÌû½»Á÷£¬£¬ 2013-04-08 21:30:09
·Å¿ªÄÇλ´óÄï: ½ð±Ò+5, ¼¯ÈºÔõôҲװ²»ÉÏphonopy£¬¸ÃÕ¦°ì 2013-04-09 19:41:21
vaspÊDz»ÄÜÖ±½Ó¼ÆËãÉù×ӯ׵ģ¬ÖÁÉÙÎÒ²»ÖªµÀÀ²£¬ ÎÒÃǾ­·Ñ²»¶à£¬ËùÒÔÊÇÓÃÃâ·ÑµÄphonopy½Ó¿Úvasp¼ÆËãµÄ£¬µ±È»Ò²»¹ÔÚÃþË÷ÖУ¬²»ÖªµÀÆäËû´óÉñÓÐûÓкõķ½·¨£¬»òÕßÓÃpwscf¼ÆËãÉù×Ó
2Â¥2013-04-08 19:30:59
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÁõÊ˳¿

ľ³æ (ÕýʽдÊÖ)

¼¯Èº×°phonopy¿ÉÄÜÓеãÂé·³ÁË£¬ÒòΪװ֮ǰҪװºÜ¶à¶«Î÷£¬²»¹ýphonopy²»ÐèҪ̫´óµÄ×ÊÔ´£¬Èç¹ûÄã¶Ô×°Õâ¸ö²»ÊǺÜÔÚÐеϰ£¬¿ÉÒÔÓĄ̃ʽ»ú»òÕ߱ʼDZ¾×°Ò»¸öubuntuµÄlinuxϵͳ£¬°´ÕÕ¹ÙÍøµÄÌáʾһ²½²½²Ù×÷¾Í¿ÉÒÔÁË£¬Èç¹ûÄãºÜÔÚÐа²×°ÕâЩÈí¼þµÄ»°£¬¿ÉÒÔÈ¥ÏÂÔØÄÇЩ֮ǰµÄ×¼±¸Èí¼þ£¬¶¼°²×°ÁË£¬È»ºóÔÙ°²×°phonopy
3Â¥2013-04-09 23:39:56
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

identation

½ð³æ (ÖøÃûдÊÖ)

×°phonopy£¬Õâ¸öºÜÂé·³£¬ºÃÏñÐèÒªrootȨÏ޵ġ£
×°ºÃphonopyÖ®ºó£¬Äã²ÎÕÕphonopyµÄÍøÕ¾¼´¿É£¬ÓÐÁ½ÖÖģʽ£¬Ò»ÖÖÊÇÓÐÏÞ²î·Ö£¬Ò»ÖÖÊÇÏßÐÔÏìÓ¦£¬ÄãgoogleËÑË÷phonopy£¬Ö®ºóµ½phonopyÍøÕ¾£¬ÕÒVASP+phonopy£¬È»ºó°´ËµÃ÷×ö¼´¿É£¡
Èç¹ûÖ»ËãgammaµãµÄ£¬vaspÖаÑIBRION¸Ä³É6»òÕß8¾ÍÐУ¬ÄãËÑÒ»ÏÂIBRIONÕâ¸öÑ¡Ïî
4Â¥2013-04-10 01:35:47
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

future_wl

ľ³æ (ÖøÃûдÊÖ)

ÎÒÃÇÓÃvasp+phononËãµÄ£¬²»¹ýphononÊÇÊշѵġ£¡£¡£¡£¡£¡£
δÀ´¾ÍÊÇÏÖÔÚ
5Â¥2013-04-10 11:06:29
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ ·Å¿ªÄÇλ´óÄï µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 331Çóµ÷¼Á +8 ÓÚÕ÷yz 2026-04-05 8/400 2026-04-06 00:54 by fmesaito
[¿¼ÑÐ] 308Çóµ÷¼Á +4 maverick^_^ 2026-04-03 4/200 2026-04-05 19:08 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ²ÄÁÏר˶(0856) 339·ÖÇóµ÷¼Á +10 ¹þ¹þ¹þ¶ì¹þ¹þ¹þ 2026-04-04 10/500 2026-04-05 18:51 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 282Çóµ÷¼Á +7 aaa³µÁ¾ 2026-04-02 11/550 2026-04-05 17:24 by yulian1987
[¿¼ÑÐ] 288Çóµ÷¼Á +7 ûÓдð°¸_ 2026-04-05 7/350 2026-04-05 17:01 by yulian1987
[¿¼ÑÐ] 288Çóµ÷¼Á£¬Ò»Ö¾Ô¸»ªÄÏÀí¹¤´óѧ071005 +6 ioodiiij 2026-04-04 6/300 2026-04-05 10:09 by guoweigw
[¿¼ÑÐ] 0854Çóµ÷¼Á +4 assdll 2026-04-04 4/200 2026-04-05 09:44 by zhq0425
[¿¼ÑÐ] ÇóÉúÎïѧѧ˶µ÷¼Á¡ª¡ª364·Ö +7 ÔÆ¶äåÞÍäÖ¸ÄÏ 2026-04-04 7/350 2026-04-04 22:49 by zhyzzh
[¿¼ÑÐ] 413Çóµ÷¼Á +4 ¿Âijij 2026-03-31 4/200 2026-04-04 22:18 by ѧԱ6BFVa3
[¿¼ÑÐ] ²ÄÁÏר˶306Ó¢Ò»Êý¶þ +8 z1z2z3879 2026-03-31 8/400 2026-04-04 22:08 by hemengdong
[¿¼ÑÐ] Çóµ÷¼Á +3 ffyyu 2026-04-02 3/150 2026-04-04 19:03 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 348·Ö»·¾³¹¤³Ì¡¤µ÷¼Á +10 ÎâÑå׿24k 2026-04-03 11/550 2026-04-04 14:19 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 400·ÖÇóµ÷¼Á +3 ÞÏÞÎÇÒÄÓÍ· 2026-04-04 3/150 2026-04-04 08:41 by jp9609
[¿¼ÑÐ] 311Çóµ÷¼Á +11 Ó¸ҵÄСÎâ 2026-04-02 11/550 2026-04-03 21:46 by qlm5820
[¿¼ÑÐ] 292Çóµ÷¼Á +21 ÊÇåû×ÓÒ²ÊÇÑÐ×Ó 2026-03-30 22/1100 2026-04-03 21:44 by qlm5820
[¿¼ÑÐ] ÊÞÒ½µ÷¼Á +3 wh119216 2026-04-02 3/150 2026-04-03 19:34 by zrongyan
[¿¼ÑÐ] 320Çóµ÷¼Á +3 ũҵ¹¤³ÌÓëÐÅÏ¢¼ 2026-04-03 3/150 2026-04-03 11:40 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] 273Çóµ÷¼Á +20 ÀîÜÆÐÂ1 2026-03-31 20/1000 2026-04-03 09:58 by linyelide
[¿¼ÑÐ] 309Çóµ÷¼Á +14 ´ô¹½²»ÊÇ´÷·ò 2026-04-02 14/700 2026-04-03 09:42 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ÉúÎïѧ327£¬Çóµ÷¼Á +5 ÊéÉϵÄ÷×Ó 2026-04-01 6/300 2026-04-02 06:47 by ilovexiaobin
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û