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lyylyy1

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yuer_hu

Ìú¸Ëľ³æ (СÓÐÃûÆø)

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sunyang1988: ½ð±Ò+1, ллָµã 2012-11-08 10:31:00
GGA = PE
ÓÃPBEµÄPOTCAR
2Â¥2012-11-08 07:27:04
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umklapp

Òø³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by yuer_hu at 2012-11-07 11:27:04
GGA = PE
ÓÃPBEµÄPOTCAR

Ö»ÓÃPBE POTCAR ¶ø²»ÉèÖà GGA=PE ¿ÉÒÔ²»£¿
3Â¥2012-11-08 12:23:10
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fjfuzhou

½ð³æ (СÓÐÃûÆø)

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¡ï
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sunyang1988: ½ð±Ò+1, лл½»Á÷ 2012-11-08 22:37:47
GGA = PE
ÓÃPBEµÄPOTCAR
4Â¥2012-11-08 15:06:25
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

bjwang

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

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INCARÎļþµÄÖеÄGGAÏîĬÈÏÖµÊǸù¾ÝPOTCARÖеĽ»»»ÀàÐÍÑ¡Ôñ£¨¿´×îеÄÖ¸µ¼ÊÖ²áÉÏDefault ¨C , XC type is chosen according to POTCAR£©£¬µ«ÏÂÃæÓÐÓо仰û¿´Ì«¶®£ºThis tag was added to perform GGA calculation with pseudopotentials generated with conventional LDA reference con-figurations.
It is a shame for the soul to be first to give way in this life,when thy body does not give way.
5Â¥2012-11-21 09:30:22
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