WebQuantum chemistry and solid state physics software package - cp2k/Makefile at master · cp2k/cp2k WebNov 1, 2024 · I'm a beginner of cp2k and when I follow the exercise of official website ( exercises:2016_summer_school:gga [CP2K Open Source Molecular Dynamics ]) ,I find that I cannot compile the code of cubecruncher.x by the tutorial so I download it from Github directly.Afterwards,I put it with the .cube files together to compute difference then failed ...
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WebMar 22, 2024 · 另外,我也用官网给的cubecruncher脚本处理计算了功函数,得到的值是5.25 eV(这是换算单位后的),与维基百科给出的Cu参考值4.53~5.10 eV接近。老师能指点下我哪里搞错了么? Webtop/cubecruncher and bottom/cubecruncher: package from CP2K for analysing cube file, run run.sh for extracting hartree potentials iteratively and calculating the potential drop (change two NR in line 14 of run.sh accordingly) friendstory shop uniform
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WebAbout. I’m Steve, located in Orlando, Florida. This site came about a few years ago when our family was trying to sell a 5th wheel and get a motorhome. We noticed that the blog … WebJul 28, 2013 · North Cascades Mountain Hostel: So cozy and friendly. A real 'home sweet home' away from home! - See 30 traveler reviews, 31 candid photos, and great deals for North Cascades Mountain Hostel at Tripadvisor. WebMar 4, 2024 · cubercruncher是cp2k的一个重要工具,可能没其他cube文件操作工具方便,但是他是CP2K自带的开源工具。生成cubecruncher用的Fortran编译器代码如下:敲入make命令,报错 gfrotran-mp-5不存在。x86_x64系统中,通用的Fortran编译器是gfortran。那么,直接修改 FC为gfortran即可,再次make回车。 friends to skateboard with