Definition of Castep. Meaning of Castep. Synonyms of Castep

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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...
- often carried out using LDA incorporated into simulation packages such as CASTEP and DMol3. However an underestimation in Band gap values often ****ociated...
- 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...
- 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...