VASP beginners: Difference between revisions
New page: go back to Main Page, Group Pages, Núria López and Group, = Hands-on exercises = If you don't have any idea about VASP, you'll be requested to solve the 4 Hands-on sessi... |
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If you don't have any idea about VASP, you'll be requested to solve the 4 Hands-on sessions reported at this link[http://vasp.at/index.php/documentation]. | If you don't have any idea about VASP, you'll be requested to solve the 4 Hands-on sessions reported at this link[http://vasp.at/index.php/documentation]. | ||
Every Hands-on session consists of a PDF presentation about the exercises you are going to solve through VASP and some already-prepared input files to perform the given simulations. | Every Hands-on session consists of a PDF presentation about the exercises you are going to solve through VASP and some already-prepared input files to perform the given simulations. The files you need to perform a simulations are given in compressed folders, which you need to unzip to extract the necessary VASP input files. The additional slides uploaded on the site give a brief overview on the theory which is at the base of the exercises. | ||
Even though on the presented slides every VASP tag is well-explained, however for a more detailed understanding you can refer to the VASP manual available online [http://cms.mpi.univie.ac.at/vasp/vasp/vasp.html]. | |||
In addition here at this link [https://drive.google.com/file/d/1MO7bWKFVjqtq2T9jX-H7mchk_UOkAsr6/view?usp=sharing] you can find some useful tips, hints and considerations on the exercises and their solution. | |||
= Notes = | = Notes = | ||
Here I reported a PDF of some useful considerations/information about the 4 Hands-on sessions which I had to solve. | Here I reported a PDF of some useful considerations/information about the 4 Hands-on sessions which I had to solve. | ||
Revision as of 17:59, 15 December 2017
go back to Main Page, Group Pages, Núria López and Group,
Hands-on exercises
If you don't have any idea about VASP, you'll be requested to solve the 4 Hands-on sessions reported at this link[1].
Every Hands-on session consists of a PDF presentation about the exercises you are going to solve through VASP and some already-prepared input files to perform the given simulations. The files you need to perform a simulations are given in compressed folders, which you need to unzip to extract the necessary VASP input files. The additional slides uploaded on the site give a brief overview on the theory which is at the base of the exercises.
Even though on the presented slides every VASP tag is well-explained, however for a more detailed understanding you can refer to the VASP manual available online [2].
In addition here at this link [3] you can find some useful tips, hints and considerations on the exercises and their solution.
Notes
Here I reported a PDF of some useful considerations/information about the 4 Hands-on sessions which I had to solve.