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corbin

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[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

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exec
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anin

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¡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
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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

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3Â¥2011-01-14 14:12:39
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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

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4Â¥2011-01-14 14:27:07
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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
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