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10Â¥: Originally posted by lzlgcdc at 2013-09-24 14:05:47
´óÏÀ ¶ÔÓÚ3D²î·ÖµçºÉÃܶÈͼ  Ò»°ãÎÄÏ×ÖеÄisosurface level ÊÇÔõôȡµÄ£¬µ¥Î»ÊÇʲô£¿  ÏÖÔÚÓÃvesta×÷ͼµÄʱºò ²»ÖªµÀvestaÉÏÃæisosurface level µÄµ¥Î»ÊÇʲô...

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11Â¥2013-09-24 14:18:30
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lzlgcdc

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11Â¥: Originally posted by ÀÂÒ at 2013-09-24 14:18:30
Õâ¸öȡֵÊÇÄã×Ô¼ºÈ¡µÃ£¬¾Í¿´»­³öµÄͼÄܲ»ÄÜÃèÊö³öÎÊÌâµÄËùÔÚ£¬±ÈÈçÄãÖÐÐÄÔ­×ÓµçºÉÊÇ0.5£¬Íⲿ¿Õ¼äÊÇ0.2£¬ÄÇÄã¾Í²»Äܽ«0-1ȡΪһ¸öÑÕÉ«£¬ÒòΪÕâÑùÄãÎÞ·¨·Ö±æÍⲿÖÐÐÄÔ­×ÓºÍÍⲿ¿Õ¼ä¡£VESTA×÷ͼµÄµ¥Î»ÎÒ»¹Õæ²»Çå³þ£¬ ...

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12Â¥2013-09-24 15:09:21
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armaity

Òø³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
7Â¥: Originally posted by lzlgcdc at 2013-09-24 10:18:34
ÊǵĠ  ÎÒÊǼõ¹ýÖ®ºó×öµÄ   ¼õµÄʱºòÑ¡Ôñµ¥Î»Ä¬ÈϵĠ  Õâ¸öʱºòµÄisosurface level ÊÇʲôµ¥Î»ÄØ   £¿...

¾ÍÊǵçºÉÃܶÈcharge density µ¥Î»°¡
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13Â¥2013-09-25 20:31:55
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lzlgcdc

½ð³æ (ÕýʽдÊÖ)

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13Â¥: Originally posted by armaity at 2013-09-25 20:31:55
¾ÍÊǵçºÉÃܶÈcharge density µ¥Î»°¡
isosurface²»¾ÍÊǵÈÖµÃæµÄÒâ˼Âð...

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14Â¥2013-09-25 22:24:11
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armaity

Òø³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
14Â¥: Originally posted by lzlgcdc at 2013-09-25 22:24:11
ÊÇe/AÂð£¿...

The values in the CHGCAR are written in terms of the charge density rho(r) (given in electrons/angstroms^3) multiplied by the volume of your supercell V (given in angstroms^3).

vaspÂÛ̳Éϵģ¬Èç¹ûÄãÔÚ´¦ÀíCHGCARµÄʱºò³ýµôÁËÌå»ý£¬ÄÇôÄãËù˵µÄÄǸöµ¥Î»¾ÍÊÇ electrons/angstroms^3
15Â¥2013-09-27 14:16:12
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lzlgcdc

½ð³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
15Â¥: Originally posted by armaity at 2013-09-27 14:16:12
The values in the CHGCAR are written in terms of the charge density rho(r) (given in electrons/angstroms^3) multiplied by the volume of your supercell V (given in angstroms^3).

vaspÂÛ̳Éϵģ¬Èç¹û ...

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16Â¥2013-09-27 17:19:10
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lzlgcdc

½ð³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
15Â¥: Originally posted by armaity at 2013-09-27 14:16:12
The values in the CHGCAR are written in terms of the charge density rho(r) (given in electrons/angstroms^3) multiplied by the volume of your supercell V (given in angstroms^3).

vaspÂÛ̳Éϵģ¬Èç¹û ...

¾ÍÊÇ˵ vaspËãµÄµçºÉÃܶÈԭʼÊý¾ÝÊÇ e/A3
17Â¥2013-09-27 17:24:53
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СµØÀ×2014

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