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zengxiaocheng-ustc
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2014-10-16 16:08
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http://digitalcommons.unl.edu/chemzeng/ 2014 PDF Designs of fullerene-based frameworks forhydrogen storage , Yi Gao, Xiaojun Wu, and Xiao Cheng Zeng PDF MoS2/MX2 heterobilayers: bandgap engineering viatensile strain or external electrical field , Ning Lu, Hongyan Guo, Lei Li, Jun Dai, Lu ...
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个人分类: 科研|3720 次阅读|没有评论
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yambo-3.4在cluster及tc4600安装
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2014-10-13 22:07
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intel编译器(composer_xe_2013.1.117),系统(Linux cu01 3.10.0-123.el7.x86_64 #1 SMP) 安装yambo-3.4: 1.请在终端分别输入以下东西: export LIB_MKL= /opt/intel/mkl/10.1.2.024/lib/em64t export CPP='icc -E' export CXX='icc -g' export MPICC=mpicc export F90=ifort export MPIF=mpif90 ...
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个人分类: yambo|4919 次阅读|没有评论
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quantum espress赝势外援
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2014-9-30 09:58
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http://www.quantum-espresso.org/pseudopotentials/about/ http://emuch.net/html/201109/3592945.html http://www.democritos.it/pipermail/pw_forum/2011-March/019712.html
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个人分类: pwscf|2416 次阅读|没有评论
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