²é¿´: 2576  |  »Ø¸´: 4
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

greenline

гæ (³õÈëÎÄ̳)

[½»Á÷] KPROJ - A band unfolding code £¨VASP£© ÒÑÓÐ3È˲ÎÓë

·¢ÏÖÒ»¸ö×öband unfolding µÄ code
KPROJ, based on the k-projection method, is a code to perform band unfolding using supercell calculations. Currently, it is interfaced to VASP.

http://mingxingchen.weebly.com/kproj.html
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

µÚÒ»ÐÔÔ­Àí¼ÆËã-tg

» ²ÂÄãϲ»¶

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

obaica

½ûÑÔ (ÖøÃûдÊÖ)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
±¾ÌûÄÚÈݱ»ÆÁ±Î

3Â¥2016-08-17 15:50:34
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 5 ¸ö»Ø´ð

jpchou

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
band unfolding ºÜ°ô
¿ÉϧµÄÊÇß@‚€ code ߀Ҫ¸ú×÷ÕßÒª²ÅÓÐ
¾W·ÉÏ߀ÓЎׂ€¿É×ÔÓÉÏÂÝdµÄ unfolding code ¿Éßx
2Â¥2016-08-17 14:58:44
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

jpchou

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
?????????§Ö?????
http://itp.uni-frankfurt.de/~tomic/unfolding/

????
https://www.ifm.liu.se/theomod/compphys/band-unfolding/

??????^??g?????
????f??????????§Û?????????? VASP, ABINIT, and QE
???????b????^???y (??? numpy, scipy, matplotlib)
????????b?^????????^???y??????X?D???h......
?@§»?Y??W¡¤??????????
??????????????????V?~
4Â¥2016-08-17 15:58:34
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

magicmonk

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
4Â¥: Originally posted by jpchou at 2016-08-17 15:58:34
¾ÍÎÒÊÖÉÏÓеģ¬±È·½
http://itp.uni-frankfurt.de/~tomic/unfolding/

»òÊÇ
https://www.ifm.liu.se/theomod/compphys/band-unfolding/

‚€È˱ÈÝ^ϲšgµÚ¶þ‚€
ÊÖƒÔÕfÃ÷Çå³þ£¬ÓÖÓй Àý¿ÉÓã¬Ö§Ô® VASP, ABINIT ...

¹þ¹þ£¬ÄÇЩ¿âÖ±½Ó°²¸öanaconda¾Í¶¼½â¾öÁË
ÎÒÃÇ×îÉîµÄ¿Ö¾å²»ÊÇÎÒÃÇÄÜÁ¦²»¹»£¬ÎÒÃÇ×îÉîµÄ¿Ö¾åÊÇÄÜÁ¦³¬Ô½Á˼«ÏÞ¡£
5Â¥2016-08-18 19:33:13
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 306Çó0703µ÷¼ÁÒ»Ö¾Ô¸»ªÖÐʦ·¶ +8 Ö½Óãly 2026-03-21 9/450 2026-03-24 10:24 by ѧÊõ°áשer
[¿¼ÑÐ] ¡¾¿¼Ñе÷¼Á¡¿»¯Ñ§×¨Òµ 281·Ö£¬Ò»Ö¾Ô¸ËÄ´¨´óѧ£¬³ÏÐÄÇóµ÷¼Á +12 ³Ô³Ô³Ô²ÅÓÐÒâÒå 2026-03-19 13/650 2026-03-24 10:06 by NCUT_Yu
[ÂÛÎÄͶ¸å] ¼±·¢ºËÐÄÆÚ¿¯ÂÛÎÄ +3 ÏÍ´ïÎʽò 2026-03-23 5/250 2026-03-23 17:13 by ÃÃ×Ó²»ºÃÈÇ
[¿¼ÑÐ] 291 Çóµ÷¼Á +4 »¯¹¤2026½ì±ÏÒµÉ 2026-03-21 5/250 2026-03-23 16:46 by »¯¹¤2026½ì±ÏÒµÉ
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤¿¼Ñе÷¼Á +4 ‹üÈA 2026-03-22 4/200 2026-03-23 16:13 by Ò»ÐݸçFU
[¿¼ÑÐ] 287Çóµ÷¼Á +8 ³¿»èÏßÓëÐǺ£ 2026-03-19 9/450 2026-03-22 17:01 by i_cooler
[¿¼ÑÐ] 306Çóµ÷¼Á +5 À´ºÃÔËÀ´À´À´ 2026-03-22 5/250 2026-03-22 16:17 by BruceLiu320
[¿¼ÑÐ] 0805 316Çóµ÷¼Á +3 ´óÑ©Éî²Ø 2026-03-18 3/150 2026-03-21 18:55 by ѧԱ8dgXkO
[¿¼ÑÐ] 0703»¯Ñ§297Çóµ÷¼Á +3 Daisy¡î 2026-03-20 3/150 2026-03-21 17:45 by ColorlessPI
[¿¼ÑÐ] Çóµ÷¼Á +3 °×QF 2026-03-21 3/150 2026-03-21 13:12 by zhukairuo
[¿¼ÑÐ] 085700×ÊÔ´Óë»·¾³308Çóµ÷¼Á +12 īīĮ 2026-03-18 13/650 2026-03-21 01:42 by JourneyLucky
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷ÄϽ»´ó£¬Çóµ÷¼Á +5 ²Ä»¯ÖðÃÎÈË 2026-03-18 5/250 2026-03-21 00:26 by JourneyLucky
[¿¼ÑÐ] 274Çóµ÷¼Á +10 S.H1 2026-03-18 10/500 2026-03-20 23:51 by JourneyLucky
[¿¼ÑÐ] 330Çóµ÷¼Á +4 С²Ä»¯±¾¿Æ 2026-03-18 4/200 2026-03-20 23:13 by JourneyLucky
[¿¼ÑÐ] Ò»Ö¾Ô¸ËÕÖÝ´óѧ²ÄÁÏÇóµ÷¼Á£¬×Ü·Ö315£¨Ó¢Ò»£© +5 sbdksD 2026-03-19 5/250 2026-03-20 22:10 by luoyongfeng
[¿¼ÑÐ] 0817 »¯Ñ§¹¤³Ì 299·ÖÇóµ÷¼Á ÓпÆÑо­Àú ÓжþÇøÎÄÕ +22 rare12345 2026-03-18 22/1100 2026-03-20 20:39 by zhukairuo
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á +4 18889395102 2026-03-18 4/200 2026-03-19 16:13 by 30660438
[¿¼ÑÐ] ±¾¿ÆÖ£ÖÝ´óѧÎïÀíѧԺ£¬Ò»Ö¾Ô¸»ª¿Æ070200ѧ˶£¬346Çóµ÷¼Á +4 ÎÒ²»ÊÇÒ»¸ù´Ð 2026-03-18 4/200 2026-03-19 09:11 by ¸¡ÔÆ166
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á +3 ÄÝÄÝninicgb 2026-03-17 3/150 2026-03-18 10:29 by macy2011
[¿¼²©] 26²©Ê¿ÉêÇë +3 1042136743 2026-03-17 3/150 2026-03-17 23:30 by ÇáËɲ»ÉÙËæ
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û