²é¿´: 3776  |  »Ø¸´: 21

fyuewen

½ð³æ (ÕýʽдÊÖ)

Ô­ÌâÒýÓá°ÓÃphonopy½«ËùÓеÄvasprun.xml½á¹û»ã×ܵõ½Á¦³£Êý¾ØÕóÒÑ×öÍ꣬Éú³ÉFORCE_SETS£¬¿´ÊÖ²áÉÏ˵ÔËÐÐphonopy -f band.conf¾ÍÄܳö½á¹û¡£µ«¶ÔÓÚband.confµÄ¾ßÌå²ÎÊý²»Ì«Àí½â£¬²»»áÉèÖá£Çë¸÷λÀÏʦָµã£ºPRIMITIVE_AXIS=£¿
PRIMITIVE_AXIS=?¡±

PRIMITIVE_AXISµÄ¶¨Ò壬ÆäʵÔÚ¹ÙÍøÉϵÄsettingsÖÐÒѾ­¸ø³ö£¨ËäÈ»ÓÐÒ»´¦×÷ÕßÓеã±ÊÎ󣩡£¶øÇÒÂ¥ÉÏÓÐһλÆäʵÒѾ­ËµµÄºÜÇå³þÁË¡£M_pÊÇÓÃÀ´¶Ôunit cellת»¯³É primitive cellÓõġ£
¾ßÌ嶨ÒåΪ£¨a_p, b_p, c_p) = (a_u, b_u, c_u)*M_p  ´Ë´¦p´ú±íprimitive cell, u ´ú±íunit cell.
Physicsloveukulele!Aloha!
21Â¥2016-06-09 16:46:09
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

1439974868

гæ (³õÈëÎÄ̳)

PRIMITIVE_AXIS has to have positive determinant³öÏÖÁËÕâ¸öÎÊÌâÊÇʲôԭÒò£¬ÔõÑù½â¾ö.

·¢×ÔСľ³æAndroid¿Í»§¶Ë
22Â¥2017-05-17 16:40:50
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ dashuai1133 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ÄÜÔ´²ÄÁÏ»¯Ñ§¿ÎÌâ×éÕÐÊÕ˶ʿÑо¿Éú8-10Ãû +5 ÍÑÓ±¶ø³ö 2026-03-16 15/750 2026-03-21 10:16 by ÍÑÓ±¶ø³ö
[¿¼ÑÐ] 278Çóµ÷¼Á +6 ÑÌ»ðÏÈÓÚ´º 2026-03-17 6/300 2026-03-21 01:57 by JourneyLucky
[¿¼ÑÐ] 324·Ö 085600²ÄÁÏ»¯¹¤Çóµ÷¼Á +4 llllkkkhh 2026-03-18 4/200 2026-03-21 01:24 by JourneyLucky
[¿¼ÑÐ] 294Çóµ÷¼Á²ÄÁÏÓ뻯¹¤×¨Ë¶ +15 ݤÎÉ­ÁÖ 2026-03-18 15/750 2026-03-20 23:28 by JourneyLucky
[¿¼ÑÐ] 321Çóµ÷¼Á +9 ºÎÈó²É123 2026-03-18 11/550 2026-03-20 23:19 by JourneyLucky
[¿¼ÑÐ] 287Çóµ÷¼Á +7 ³¿»èÏßÓëÐǺ£ 2026-03-19 8/400 2026-03-20 22:19 by JourneyLucky
[¿¼ÑÐ] ҩѧ383 Çóµ÷¼Á +3 ҩѧchy 2026-03-15 5/250 2026-03-20 22:11 by ÔÆÓÎÖØÑô
[¿¼ÑÐ] ±¾ÈË¿¼085602 »¯Ñ§¹¤³Ì ר˶ +19 ²»ÖªµÀ½Ðʲô£¡ 2026-03-15 21/1050 2026-03-20 20:48 by zhukairuo
[¿¼²©] ÕÐÊÕ²©Ê¿1-2ÈË +3 QGZDSYS 2026-03-18 3/150 2026-03-20 11:58 by ßÉßÉßÉßɽÐ
[¿¼ÑÐ] 320Çóµ÷¼Á0856 +3 ²»ÏëÆðÃû×Ö112 2026-03-19 3/150 2026-03-19 22:53 by ѧԱ8dgXkO
[¿¼ÑÐ] 288Çóµ÷¼Á£¬Ò»Ö¾Ô¸»ªÄÏÀí¹¤´óѧ071005 +5 ioodiiij 2026-03-17 5/250 2026-03-19 18:22 by zcl123
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á +5 pupcoco 2026-03-17 8/400 2026-03-19 13:58 by houyaoxu
[¿¼ÑÐ] Ò»Ö¾Ô¸985£¬±¾¿Æ211£¬0817»¯Ñ§¹¤³ÌÓë¼¼Êõ319Çóµ÷¼Á +10 Liwangman 2026-03-15 10/500 2026-03-19 10:25 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] ÊÕ¸´ÊÔµ÷¼ÁÉú +4 ÓêºóÇïºÉ 2026-03-18 4/200 2026-03-18 14:16 by elevennnne
[¿¼ÑÐ] 334Çóµ÷¼Á +3 Ö¾´æ¸ßÔ¶ÒâÔÚ»úÐ 2026-03-16 3/150 2026-03-18 08:34 by lm4875102
[¿¼ÑÐ] 293Çóµ÷¼Á +11 zjlµÄºÅ 2026-03-16 16/800 2026-03-18 08:10 by zhukairuo
[¿¼ÑÐ] 308Çóµ÷¼Á +4 ÊÇLupa°¡ 2026-03-16 4/200 2026-03-17 17:12 by ruiyingmiao
[¿¼ÑÐ] Ò»Ö¾Ô¸211 0703·½Ïò310·ÖÇóµ÷¼Á +3 ŬÁ¦·Ü¶·112 2026-03-15 3/150 2026-03-16 16:44 by houyaoxu
[¿¼ÑÐ] ÖпÆÔº²ÄÁÏ273Çóµ÷¼Á +4 yzydy 2026-03-15 4/200 2026-03-16 15:59 by Gaodh_82
[¿¼ÑÐ] 070303 ×Ü·Ö349Çóµ÷¼Á +3 LJY9966 2026-03-15 5/250 2026-03-16 14:24 by xwxstudy
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û