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zcntydyd

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vimtex

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mazuju028(½ð±Ò+1): лл½»Á÷ 2011-03-20 09:58:59
ÒýÓûØÌû:
Originally posted by zcntydyd at 2011-03-10 09:55:47:
ÎÒÓÃpw91¼ÆËãÆøÌ¬znÔ­×Ó£¬Ôõô¼ÆËã³öÀ´µÄÄÜÁ¿ÊÇ0.03eV.ÎÒÊäÈëÎļþ×Ðϸ¼ì²é¹ýÓ¦¸ÃûÓÐÎÊÌ⡣ϣÍû´ó¼ÒÒ²°ïÎÒËãÒ»ËãÆøÌ¬Ð¿Ô­×ÓÄÜÁ¿£¬¿´¿´Ò²ÊDz»ÊÇÕâ¸ö½á¹û¡£
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Zn-gas?
How do you set up the temperature?
Or only use a large supercell including one zinc atom?
3Â¥2011-03-20 05:27:30
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zcntydyd

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4Â¥2011-03-22 09:16:36
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vimtex

Òø³æ (³õÈëÎÄ̳)

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Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
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Originally posted by zcntydyd at 2011-03-22 09:16:36:
1) temperature is selected at 0 k.
2) merely a large unit cell was used, which contains only one zinc atom.
Vimtex, can you report your result for me? Comparison of your with mine is advantageous ...

I am just ask a question because I have no idea about the howto...
5Â¥2011-03-25 05:20:22
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