Computational Chemistry

2017-12-29 Animated gifs of molecular orbitals of CO   Computational Chemistry     Quantum Chemistry  
2023
0
2017-12-27 Efficient compression of CHGCAR and LOCPOT files   VASP     Computational Chemistry  
1935
0
2016-06-30 How to compile VASP 5.4.1 on a MacBook running OS X El Capitan   VASP     Computational Chemistry  
6240
0
2015-11-03 How to compile VASP 5.4.1 for Linux Debian using the GNU compiler   VASP     Computational Chemistry  
13017
8
2015-07-14 Introduction to Electronic Structure Calculations: The variational principle   Quantum Chemistry     Computational Chemistry  
7573
0
2015-06-29 How to build VASP 5.3.5 using the GNU compiler on Linux Ubuntu 14.04 LTS   Computational Chemistry     VASP  
15649
12
2015-04-28 Visualising the electron density of the binding orbitals of the CO molecule using VASP   Computational Chemistry     VASP  
13240
7
2015-03-22 How to build VASP 4.6.38 using the Intel compiler   VASP     Computational Chemistry  
5704
1
2014-07-28 How to build VASP 4.6.38 using the GNU compiler   VASP     Computational Chemistry  
47691
9
2014-07-25 Optimizing VASP performance by tuning the compilation using the GNU compilers   VASP     Computational Chemistry  
11842
0

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