版塊導(dǎo)航: 正在加載中...

應(yīng)《網(wǎng)絡(luò)安全法》要求，自2017年10月1日起，未進(jìn)行實(shí)名認(rèn)證將不得使用互聯(lián)網(wǎng)跟帖服務(wù)。為保障您的帳號(hào)能夠正常使用，請(qǐng)盡快對(duì)帳號(hào)進(jìn)行手機(jī)號(hào)驗(yàn)證，感謝您的理解與支持！

24小時(shí)熱門版塊排行榜

返回列表

gaozhibin

銅蟲 (正式寫手)

應(yīng)助: 9 (幼兒園)
金幣: 100.9
散金: 202
紅花: 7
帖子: 391
在線: 149.5小時(shí)
蟲號(hào): 2617861
注冊(cè): 2013-08-26
性別: MM
專業(yè): 凝聚態(tài)物性I:結(jié)構(gòu)、力學(xué)和

[求助] How to calculate the static dielectric constant for two dimensional material?

Hi, emuch users,
Recently, I want to calculate the static dielectric constant of one 2D material, according to the VASP manual, http://cms.mpi.univie.ac.at/wiki ... nt-particle_picture

I get the MACROSCOPIC STATIC DIELECTRIC TENSOR (including local field effects in DFT) and MACROSCOPIC STATIC DIELECTRIC TENSOR IONIC CONTRIBUTION which are a second order tensor, my question is how to get the static dielectric constant? I know, for example, if I want to get the Z direction of dielectric, the second column is ok. But there exists a question, how to eliminate the contribution of vacuum?

I would appreciate it if you could give me a bit of good advise. I really hope to hear from you as soon as possible.
Best wishes!

回復(fù)此樓

» 猜你喜歡

一志愿中國(guó)海洋大學(xué)，生物學(xué)，301分，求調(diào)劑已經(jīng)有6人回復(fù)
081700化工學(xué)碩調(diào)劑已經(jīng)有3人回復(fù)
材料學(xué)碩318求調(diào)劑已經(jīng)有4人回復(fù)
329求調(diào)劑已經(jīng)有4人回復(fù)
一志愿吉林大學(xué)材料學(xué)碩321求調(diào)劑已經(jīng)有11人回復(fù)
一志愿蘇州大學(xué)材料求調(diào)劑，總分315（英一）已經(jīng)有3人回復(fù)
0703化學(xué)調(diào)劑已經(jīng)有14人回復(fù)
320求調(diào)劑0856 已經(jīng)有3人回復(fù)
307求調(diào)劑已經(jīng)有9人回復(fù)
288求調(diào)劑已經(jīng)有15人回復(fù)

加油努力，堅(jiān)持爬行的小烏龜

1樓 2016-03-31 20:15:55

已閱回復(fù)此樓關(guān)注TA 給TA發(fā)消息送TA紅花 TA的回帖

iamikaruk

木蟲 (著名寫手)

1ST強(qiáng)帖: 1
應(yīng)助: 11 (小學(xué)生)
金幣: 4950.3
散金: 118
紅花: 76
帖子: 1362
在線: 543.8小時(shí)
蟲號(hào): 1315985
注冊(cè): 2011-06-05
專業(yè): 無機(jī)非金屬類電介質(zhì)與電解

你要算的是真正的static dielectric constant $\epsilon_0$ 還是光頻的dielectric constant $\epsilon_{\infty}$ ？vasp計(jì)算的是后者。

贊一下(1人)

回復(fù)此樓

[img]http://osu.ppy.sh/stat2/iamikaruk-0.png[/img]

2樓2016-04-01 21:08:28