Category subtopics (amongst others) Theoretical background Density-functional theory...
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variables may be set to run only tests that belong to a specific category (or categories): VASP_TESTSUITE_RUN_HYB VASP_TESTSUITE_RUN_GAMMA VASP_TESTSUITE_RUN_NCL...
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self-consistency cycle The term self-consistency cycle (SCC) denotes a category of algorithms that determine the electronic ground state by a combination...
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With "direct optimization of the orbitals" we denote a category of electronic minimization algorithms that use the gradient of the free energy with respect...
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a local basis for the electronic state or optimizing performance). Each category page provides an introduction to the topic. It links to tag and file documentation...
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VASP_TESTSUITE_EXE_GAM="mpirun -np 4 $PWD/../bin/vasp_gam" # # Run the tests in the FAST category # export VASP_TESTSUITE_RUN_FAST=Y...
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templates in the arch directory. In order to verify each build we run the FAST category tests of the testsuite. The build instructions have been tested on clean...
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molecular dynamics clearly do not fall into the "high quality quantitative" category because the cell shape and the number of atoms remains constant during...
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Technical errors fall into four categories: Errors due to k-point sampling. This will be discussed in Number of k points and method for smearing. Mind...
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This category contains all tags related to thermodynamic integration....
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purposes. These are set by the INCAR tag ALGO and can be divided into two categories: Iterative matrix diagonalisation + density mixing, aka the self-consistency...
90 members (2 subcategories, 0 files) - 15:37, 19 January 2024
|M.J. Gillan, J. Phys.: Condens. Matter 1, 689 (1989). End with ---- [[Category:INCAR]]...
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This category shows all tags and articles concerning low scaling GW and RPA algorithms available as of VASP.6 and newer. The Random Phase Approximation...
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This is the top-level category Contents...
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with VASP workshops (talks, exercises, and tutorials) are members of this category. Contents...
5 members (0 subcategories, 0 files) - 11:49, 22 August 2016
articles that are important for the GPU-port of VASP are members of this category....
9 members (0 subcategories, 0 files) - 13:36, 10 May 2019
This category only contains tags and features that are only available in the development version of VASP. These tags and features may undergo significant...
0 members (0 subcategories, 0 files) - 12:09, 21 November 2022
