24СʱÈÈÃŰæ¿éÅÅÐаñ    

²é¿´: 1788  |  »Ø¸´: 4
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

corbin

Òø³æ (СÓÐÃûÆø)


[½»Á÷] ¡¾ÇóÖú¡¿Çë½ÌÈçºÎÓÃXCrySDen»­3D Fermi surface£¿

Çë½ÌÈçºÎÓÃXCrySDen»­3D Fermi surface£¿

ÔÚwien2kµÄmalilist ÀïËÑÁËһϣ¬ÓÐÈË˵

I save the data and start the following to prepare the data for Fermi  
surface plotting with XCrySDen (k points have been prepared without  
shift as
required by XCrySDen) ---

x lapw1
x lapwso
x lapw2 -so -fermi

I then start the XCrySDEN and select
File ---> Open WIEN2k ---> Fermi Surface  (hit OK) ---> Render Fermi  
Surface

µ«ÊÇÎÒ°´×Å×öÁËһϣ¬±¨´í

ERROR: while excuting
exec
~/XCrySDen/bin/wn_readbakgen bakgen.def.

ÇëÎÊÓÐÈËÓùýÂð£¿Âé·³Ö¸µãһϣ¬Ð»Ð»
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

corbin

Òø³æ (СÓÐÃûÆø)


ÒýÓûØÌû:
Originally posted by anin at 2011-01-14 14:27:07:


ûÓУ¬ÄãÓõÄÊÇ×Ô¼º±àÒëµÄ»¹ÊÇÖ±½ÓÏÂÔØµÄ¿ÉÖ´Ðа汾µÄ£¬¿ÉÄܰ汾²»Ò»Ñù¡£
Ò»°ãÇé¿öÏÂÒªÏÈ×Ô¼ºÓÃlapw2 -fermiËãһϣ¬XCrysDenÖ»ÊÇ´¦Àí½á¹û

ÎÒÊÇÏÂÔØµÄ±àÒë°æ±¾£¬lapw2 -fermi Ó¦¸Ã¾ÍÊÇËãһϷÑÃ×ÃæµÄÖµ£¬Õâ¸öÎÒÒѾ­×ö¹ýÁË£¬XCrysDenÃ²ËÆÊÇ ³ö´íÔÚ¶ÁÈ¡kgen µÄÒ»¸öÊä³öÎļþÉÏ
5Â¥2011-01-15 18:56:20
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 5 ¸ö»Ø´ð

anin

ľ³æ (ÖøÃûдÊÖ)


¡ï ¡ï
corbin(½ð±Ò+1):лл²ÎÓë
zzy870720z(½ð±Ò+1):ллÌáʾ 2011-01-14 09:41:18
XCrysDenÀïÃæ¾ÍÓл­feimi surfaceµÄÑ¡Ï°´ÕÕÌáʾһ²½²½×ö¾Í¿ÉÒÔÁË¡£
2Â¥2011-01-14 09:34:00
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

corbin

Òø³æ (СÓÐÃûÆø)


ÒýÓûØÌû:
Originally posted by anin at 2011-01-14 09:34:00:
XCrysDenÀïÃæ¾ÍÓл­feimi surfaceµÄÑ¡Ï°´ÕÕÌáʾһ²½²½×ö¾Í¿ÉÒÔÁË¡£

лл

µ«ÊÇÎÒ°´×Å×öÁËһϣ¬±¨´í

ERROR: while excuting
exec
~/XCrySDen/bin/wn_readbakgen bakgen.def.

ÄãÅöµ½¹ýÂð£¿
3Â¥2011-01-14 14:12:39
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

anin

ľ³æ (ÖøÃûдÊÖ)


¡ï ¡ï
corbin(½ð±Ò+1):лл²ÎÓë
gzqdyouxia(½ð±Ò+1):ллÌáʾ 2011-01-14 15:38:04
ÒýÓûØÌû:
Originally posted by corbin at 2011-01-14 14:12:39:


лл

µ«ÊÇÎÒ°´×Å×öÁËһϣ¬±¨´í

ERROR: while excuting
exec
~/XCrySDen/bin/wn_readbakgen bakgen.def.

ÄãÅöµ½¹ýÂð£¿

ûÓУ¬ÄãÓõÄÊÇ×Ô¼º±àÒëµÄ»¹ÊÇÖ±½ÓÏÂÔØµÄ¿ÉÖ´Ðа汾µÄ£¬¿ÉÄܰ汾²»Ò»Ñù¡£
Ò»°ãÇé¿öÏÂÒªÏÈ×Ô¼ºÓÃlapw2 -fermiËãһϣ¬XCrysDenÖ»ÊÇ´¦Àí½á¹û
4Â¥2011-01-14 14:27:07
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼²©] ÊÛSCIÒ»ÇøT0PÎÄÕ£¬ÎÒ:8.O.55.1.O.5.4,¿ÆÄ¿È«,¿É+¼± +3 Qj98d49dHFb9 2026-08-25 5/250 2026-08-26 04:57 by cNXvBfCpiZOM
[¿¼ÑÐ] ÊÛSCIÒ»ÇøT0PÎÄÕ£¬ÎÒ:8.O.55.1.O.5.4,¿ÆÄ¿È«,¿É+¼± +3 7K1CJE38xLG4 2026-08-25 4/200 2026-08-26 02:04 by cNXvBfCpiZOM
[ÂÛÎÄͶ¸å] ÊÛSCIÒ»ÇøT0PÎÄÕ£¬ÎÒ:8O.55.1.O.5.4,¿ÆÄ¿ÆëÈ«,¿É+¼± +3 7K1CJE38xLG4 2026-08-25 4/200 2026-08-26 02:04 by cNXvBfCpiZOM
[»ù½ðÉêÇë] 2026Äê8ÔÂ25ÈÕ¹ú×ÔÈ»·Å°ñǰͻȻÊÕµ½ÁÐÈëÆÀÉóר¼ÒÓʼþ£¬ÓйØÏµÂ𣿠+17 ľˮ˼¶¹ 2026-08-25 20/1000 2026-08-26 01:26 by chengyan1220
[»ù½ðÉêÇë] ÔÚ¼á±ù»¹¸Ç×ű±º£µÄʱºò£¬ÎÒ¿´µ½ÁËÅ­·ÅµÄ÷»¨¡£ (½ð±Ò+10) +6 ziyangfang 2026-08-25 9/450 2026-08-25 20:26 by huagongfeihu
[»ù½ðÉêÇë] Ã÷ÌìÓ¦¸Ã¿É²éÁË£¡£¿ +6 chengyan1220 2026-08-23 6/300 2026-08-25 19:45 by zfd97
[»ù½ðÉêÇë] ÓÐûÓдóÉñ°ïÎÒ¿´¿´»ù½ð´úÂë 28+4 1234567wang 2026-08-24 10/500 2026-08-25 19:15 by lfy8008
[»ù½ðÉêÇë] ·Å°ñǰµÄ²»µ­¶¨ 20+4 snowwithsea 2026-08-19 19/950 2026-08-25 17:57 by chick875
[»ù½ðÉêÇë] ijЩ»ú¹¹£¬ÒÔЧÂʵÍΪÈÙ£¬ÒÔЧÂʵÍ×÷Ϊ´æÔڸР+9 yuleib84 2026-08-25 10/500 2026-08-25 17:14 by alexon
[»ù½ðÉêÇë] Èç¹û´Ë¿ÌÄãÕýÔÚΪ¹ú»ù¸Ðµ½½¹ÂÇ£¬²»·ÁÀ´ÌýÌýÕâÊס¶»ù½ðÖ®Íâ¡· +8 scalable 2026-08-24 8/400 2026-08-25 12:52 by jnhyjjm
[»ù½ðÉêÇë] ÈËÆø²»ÐÐÁË +11 fansofjerry 2026-08-21 11/550 2026-08-25 11:04 by ¹Â¶ÀµÄÓ¢ÐÛ6
[»ù½ðÉêÇë] ÎÒÃæÉÏÍêµ°ÁË +13 ÇÒÌý»¢Ð¥ 2026-08-20 14/700 2026-08-25 09:10 by mrkang
[»ù½ðÉêÇë] ÄÜ·ñÍ˳ö²ÎÓëµÄÃæÉÏÏîÄ¿½â³ýÏÞÏî +21 koalala 2026-08-24 24/1200 2026-08-24 19:25 by ¼ÒÓëÔ¶·½
[»ù½ðÉêÇë] filecode£¬4¸öjtjcÁË +14 ziyangfang 2026-08-19 17/850 2026-08-24 18:37 by ¹þ¹þ¸ò£¿
[»ù½ðÉêÇë] ½¨Òé»ù½ð·¢²¼Ìáǰ¸ø³öÃ÷È·µÄʱ¼äµã +13 kulium 2026-08-21 16/800 2026-08-24 16:27 by superceng
[»ù½ðÉêÇë] ¿ÆÑй¶ùÌ«ÄÑÁË +18 ÎÒ4´ó°×²Ë 2026-08-20 19/950 2026-08-24 09:47 by ¿­¶÷¹ãÊ¢´ß»¯·ÖÎ
[»ù½ðÉêÇë] ʱ¼ä´Á½ñÌ죬20ºÅ±äÁË +5 archvillain 2026-08-20 5/250 2026-08-22 06:12 by hui_daxiao
[»ù½ðÉêÇë] ¿´À´½ñÌì²»»á·Å°ñÁË£¿ +8 chengyan1220 2026-08-21 11/550 2026-08-21 17:52 by dcqxinyang
[»ù½ðÉêÇë] Ó¦¸ÃÊÇÏÂÖÜÈý26ÈÕ¹«²¼Á˰ɣ¿ +4 ¹þ¹þ¸ò£¿ 2026-08-21 4/200 2026-08-21 10:58 by Vivilian
[»ù½ðÉêÇë] »ù½ð°¡»ù½ð +4 longfie172 2026-08-20 4/200 2026-08-21 08:58 by mark mao
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û