Calculations of the thermal conductivity of KNbO3 from first-principles
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https://digital.csic.es/handle/10261/340552
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资源简介：
-Data were generetaed from February to August 2022._ -vcab_single,xml and kTsweek.xml are the input files for VCAbuilder and kTsweep, executables of the almaBTE package. The folder 'KNbO3' contains the force constants comouted wuth DFT and other files necessary to run the calculations. KNbO3_22_22_22_100_400.Tsweep is the output of kTsweep._ -Data were generetaed as detailed in the related article._ -Files can be opened and read with a simple text editor. The almaBTE code (freely available at https://almabte.bitbucket.io/) is needed to carry out the thermal conductivity calcualtions._
提供机构：
Digital.CSIC
创建时间：
2023-12-13
