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y1ding

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zxzj05(½ð±Ò+1,VIP+0):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷ 11-18 02:02
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3Â¥2009-11-17 00:09:39
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zxzj05(½ð±Ò+1,VIP+0):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷ 11-18 02:02
in fact, pwscf can use pertubation DFT method to calculate phonon frequency and electron phonon interaction.  vasp can't do it .
but it is rather fast to relax structure by vasp .
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2Â¥2009-11-16 21:55:26
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yjmaxpayne(½ð±Ò+2,VIP+0):лл·ÖÏí 11-18 17:46
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