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free  energy   TOTEN  =      -268.41889816 eV

  energy  without entropy=     -268.34904144  energy(sigma->0) =     -268.38396980
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lisu555

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6Â¥: Originally posted by µ°µ°Ð¡Í¯Ð¬ at 2017-03-14 08:03:52
ISMEAR=-5ʱºò£¬Á½¸öÏàµÈ£¬Èç¹û²»µÈ£¬energy  without entropy=     -268.34904144  energy(sigma->0) =     -268.38396980  ²»Ò»Ñù£¬ÔÚ¼ÆËãÌåϵ½áºÏÄÜ£¬ÌåϵµÄ×ÜÄÜÈ¡energy  without entropy=     -268.349041 ...

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7Â¥2017-03-14 09:29:37
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lisu555(ÂþÌìÆ®Ñ©´ú·¢): ½ð±Ò+2, лл½»Á÷ 2017-03-13 08:36:13
energy  without entropy=     -268.34904144  energy(sigma->0) =     -268.38396980
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2Â¥2017-03-12 16:59:21
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lisu555

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
2Â¥: Originally posted by µ°µ°Ð¡Í¯Ð¬ at 2017-03-12 16:59:21
energy  without entropy=     -268.34904144  energy(sigma->0) =     -268.38396980

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3Â¥2017-03-13 06:09:19
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3Â¥: Originally posted by lisu555 at 2017-03-13 06:09:19
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