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jpchou

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

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10?: Originally posted by liudan_1111 at 2014-09-26 07:52:48
?????????????????¨´?castep?????????????????????????????????????????????...

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????????????????? wavefunction
wavefunction ????????
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???? CASTEP ??????????
11Â¥2014-09-26 14:50:36
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liudan_1111

½ð³æ (СÓÐÃûÆø)

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9Â¥: Originally posted by jpchou at 2014-09-25 22:15:16
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12Â¥2014-09-26 16:35:39
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jpchou

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
12Â¥: Originally posted by liudan_1111 at 2014-09-26 16:35:39
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13Â¥2014-09-26 18:02:37
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liudan_1111

½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
13Â¥: Originally posted by jpchou at 2014-09-26 18:02:37
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"Ö±½Ó¿´" ~ ÊÇ›]ÓеÄ
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14Â¥2014-09-26 19:49:34
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liudan_1111

½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
13Â¥: Originally posted by jpchou at 2014-09-26 18:02:37
¾ÍÎÒËùÖª
"Ö±½Ó¿´" ~ ÊÇ›]ÓеÄ
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±ØíšÒªÍ¸ß^ÞD™n~ÞD³É ASCII file ²ÅÄܽoÒ•ÓX»¯Ü›ówÈ¥×xÈ¡

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http://www.andrew.cmu.edu/user/feenstra/wavetran ...

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15Â¥2014-09-26 20:12:51
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jpchou

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

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14?: Originally posted by liudan_1111 at 2014-09-26 19:49:34
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16Â¥2014-09-26 20:18:39
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liudan_1111

½ð³æ (СÓÐÃûÆø)

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16?: Originally posted by jpchou at 2014-09-26 20:18:39
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17Â¥2014-09-26 22:02:05
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liudan_1111

½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
3Â¥: Originally posted by jpchou at 2014-09-25 03:39:56
OUTCAR ƒÈ•þ³ö¬FÏñß@˜ÓµÄ–|Î÷ (”µ×Ö¶¼ÊÇÎÒ?y½oµÄ)

1 f/i = 64.112970 THz 402.833672 2PiTHz 2138.578420 cm-1 265.150026 meV
            X             Y             Z             dx             dy      ...

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18Â¥2014-09-29 08:17:28
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jpchou

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

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18?: Originally posted by liudan_1111 at 2014-09-29 08:17:28
????????????????vasp???????????¦¶??????????????????????????§Ý§Ý...

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19Â¥2014-09-29 15:26:48
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liudan_1111

½ð³æ (СÓÐÃûÆø)

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19?: Originally posted by jpchou at 2014-09-29 15:26:48
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20Â¥2014-09-30 09:45:55
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