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tsglss

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

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10Â¥: Originally posted by mhslee at 2015-08-11 05:52:05
You can try changing pseudopotentials to be norm-conserving ones.

yes,this is a good idear

[ ·¢×ÔÊÖ»ú°æ http://muchong.com/3g ]
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11Â¥2015-08-11 10:24:27
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tsglss

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
10Â¥: Originally posted by mhslee at 2015-08-11 05:52:05
You can try changing pseudopotentials to be norm-conserving ones.

yes,this is a good idear.but ,after use  norm-conserving pseudopotentia ,my calculated lattice constant get very larger than that in  uspp  regardless of LDA or GGA.why?what to do?thank you
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12Â¥2015-08-11 10:45:45
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