https://rachpt.cn/categories/dft/ Recent content in DFT on rachpt's Blog Hugo zh-cn Sat, 31 Mar 2018 00:00:00 +0800 https://rachpt.cn/2018/03/31/the-gateway-of-materials-studio/ Sat, 31 Mar 2018 00:00:00 +0800 https://rachpt.cn/2018/03/31/the-gateway-of-materials-studio/ <blockquote> <p>关于 Materials studio 的 Remote Gateway。</p></blockquote> https://rachpt.cn/2018/03/23/castep-module-in-ms/ Fri, 23 Mar 2018 00:00:00 +0800 https://rachpt.cn/2018/03/23/castep-module-in-ms/ <blockquote> <p>网上找的部分 Materials Studio 关于 CASTEP 模块的使用。</p></blockquote> https://rachpt.cn/2018/03/13/some-error-of-ms/ Tue, 13 Mar 2018 00:00:00 +0800 https://rachpt.cn/2018/03/13/some-error-of-ms/ <blockquote> <p>记录几个 MS 的错误。</p></blockquote> https://rachpt.cn/2018/03/02/ms-scf-max-iterations/ Fri, 02 Mar 2018 00:00:00 +0800 https://rachpt.cn/2018/03/02/ms-scf-max-iterations/ <blockquote> <p>今天遇到 Materials Studio cij 计算失败，提示基态电子最小化失败。检查输出文件，发现蛛丝马迹。</p></blockquote> https://rachpt.cn/2018/01/11/install-materials-studio-on-ubuntu/ Thu, 11 Jan 2018 00:00:00 +0800 https://rachpt.cn/2018/01/11/install-materials-studio-on-ubuntu/ <blockquote> <p>linux mint 是基于 ubuntu 的，所以对 ubuntu 也应该是有效的。（推荐 desktop 使用 <a href="https://www.linuxmint.com/download.php">mint cinnamon</a> 版）</p></blockquote> https://rachpt.cn/2017/11/10/materials-studio-super/ Fri, 10 Nov 2017 00:00:00 +0800 https://rachpt.cn/2017/11/10/materials-studio-super/ <blockquote> <p>简化以方便阅读。</p></blockquote>