Definition of CASTEP. Meaning of CASTEP. Synonyms of CASTEP

Here you will find one or more explanations in English for the word CASTEP. Also in the bottom left of the page several parts of wikipedia pages related to the word CASTEP and, of course, CASTEP synonyms and on the right images related to the word CASTEP.

Definition of CASTEP

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Meaning of CASTEP from wikipedia

- CASTEP is a shared-source academic and commercial software package which uses density functional theory with a plane wave basis set to calculate the electronic...
- on code written by Mike Payne (then at MIT), which was also the basis of CASTEP. It was then brought to the University of Vienna, Austria, in July 1989...
- RMG SIESTA VB2000 YAMBO code Proprietary ADF AMPAC DMol3 CADPAC CASINO CASTEP CPMD CRUNCH CRYSTAL Firefly GAMESS (UK) GAMESS (US) Gaussian Jaguar MOLCAS...
- RMG SIESTA VB2000 YAMBO code Proprietary ADF AMPAC DMol3 CADPAC CASINO CASTEP CPMD CRUNCH CRYSTAL Firefly GAMESS (UK) GAMESS (US) Gaussian Jaguar MOLCAS...
- including zeolites, carbon nanotubes, silica gel, and activated carbon CASTEP: to predict electronic, optical, and structural properties ONETEP: to perform...
- RMG SIESTA VB2000 YAMBO code Proprietary ADF AMPAC DMol3 CADPAC CASINO CASTEP CPMD CRUNCH CRYSTAL Firefly GAMESS (UK) GAMESS (US) Gaussian Jaguar MOLCAS...
- Un­known CASINO (QMC) Academic Fortran 2003 Yes Yes Yes, OpenACC No No CASTEP Academic, commercial Fortran 95, Fortran 2003 Yes Yes No Un­known Un­known...
- often carried out using LDA incorporated into simulation packages such as CASTEP and DMol3. However an underestimation in Band gap values often ****ociated...
- Yes Yes No Yes Yes Libxc Abinit ADF APE Atomistix ToolKit AtomPAW BigDFT Castep CP2K DP Elk ERKALE exciting GPAW JDFTx MOLGW Octopus Yambo Yes Yes Yes Yes...
- He is the creator of first principles total energy pseudopotential code CASTEP and has been involved in the development of the linear scaling code ONETEP...