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howto [2017/12/18 13:04] – [Advanced Topics] nholmber | howto [2024/02/24 10:07] – oschuett | ||
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====== HOWTOs ====== | ====== HOWTOs ====== | ||
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Please feel free to contribute a HOWTO page, click [[howto: | Please feel free to contribute a HOWTO page, click [[howto: | ||
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===== Installation ===== | ===== Installation ===== | ||
- | * [[howto:compile|How to Compile CP2K]] | + | * [[https:// |
* [[howto: | * [[howto: | ||
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===== Basic Topics ===== | ===== Basic Topics ===== | ||
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* [[howto: | * [[howto: | ||
* [[howto: | * [[howto: | ||
* [[howto: | * [[howto: | ||
- | * [[howto:geometry_optimisation|How to run Geometry Optimisation]] | + | * [[howto::running_qe_computation| How to run QE types of calculations with CP2K and SIRIUS]] |
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- | * [[howto:mp2|How to run MP2 Calculations]] | + | |
* [[howto: | * [[howto: | ||
- | * [[howto:gemc|How to run GEMC calculations]] | + | * [[howto:dft+u|How to run a DFT+U calculation]] |
===== Advanced Topics ===== | ===== Advanced Topics ===== | ||
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- | * [[howto:langevin_regions|How to run Born-Oppenheimer MD with regions connected to thermal baths using Generalised Langevin MD]] | + | |
- | * [[howto: | + | * [[https:// |
* [[howto: | * [[howto: | ||
* [[howto:pgo | How to build with profile guided optimization]] | * [[howto:pgo | How to build with profile guided optimization]] | ||
* [[howto:stm | How to generate STM images from CP2K simulation]] | * [[howto:stm | How to generate STM images from CP2K simulation]] | ||
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===== Applications / Case Studies ===== | ===== Applications / Case Studies ===== | ||
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* [[ science | Example published work using CP2K ]] | * [[ science | Example published work using CP2K ]] | ||
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howto.txt · Last modified: 2024/05/29 15:47 by oschuett