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xirainbow

木虫 (正式写手)

[交流] 【分享】ESPRESSO小组刚写的总结性文章 已有3人参与

6月25号ESPRESSO刚刚写好的文章,投到Journal of physics:Condenced Matter了,还没有正式发表呢;P    大家先睹为快吧;)
     估计以后用ESPRESSO发文章,就需要引这篇文献了;)

申请加精;P

大家看完后有什么感想,有空来聊聊吧;P

[ Last edited by xirainbow on 2009-7-20 at 11:28 ]
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hakuna

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引用回帖:
Originally posted by xirainbow at 2009-7-21 09:06:



谢谢:)

“Another important development presently under way is an efficient implementation of GWcalculations for large systems (whose size is of the order of a few hundreds inequivalent a ...

这应当是正在开发中吧......
16楼2009-07-23 10:09:31
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xirainbow

木虫 (正式写手)

★ ★ ★
wuchenwf(金币+3,VIP+0):谢谢回帖交流 7-24 00:43
我先起个头:)

摘要的第一句是:QUANTUM ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and projector-augmented wave).


可是我从没听说,在它提供的赝势库中也没见过ESPRESSO使用过PAW?

[ Last edited by xirainbow on 2009-7-19 at 19:18 ]
2楼2009-07-19 19:16:03
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totem

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小木虫(金币+0.5):给个红包,谢谢回帖交流
fegg7502(金币+1,VIP+0):thank you very much! 7-19 21:06
I think it means people can DIY PAW albeit it is difficult.
3楼2009-07-19 20:25:51
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y1ding

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zxzj05(金币+1,VIP+0):3Q! ^_^ 鼓励讨论! 7-21 16:45
4楼2009-07-20 08:30:24
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