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The CPMD code

This website is about the Car-Parrinello MD code.

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    • The Basics of CPMD – Wavefunction Optimization
    • Exercise 1: Electron Structure and Geometry Optimization
    • Exercise 2: Car-Parrinello MD
    • Exercise 3: Bulk Systems
    • Exercise 4: Determination of Dynamical Properties
    • Exercise 5: Proton transfer in an Enzyme
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The CPMD code

Tellurium Pseudopotentials

Te_SGS_LDA.psp
Usage: LMAX=D LOC=P ECUT=24 Ry

Te_MT_PBE.psp
Usage: LMAX=D LOC=D ECUT=40 Ry

Te_MT_PBESol.psp
Usage: LMAX=D LOC=D ECUT=40 Ry

Te_MT_BLYP.psp
Usage: LMAX=D LOC=D ECUT=40 Ry

Te_MT_HCTH.psp
Usage: LMAX=D LOC=D ECUT=40 Ry

Te_GO_BLYP.psp
Usage: LMAX=D LOC=D ECUT=40 Ry


The CPMD program is © 2000-2019 jointly by IBM Corp. and by Max Planck Institute, Stuttgart. It is distributed free of charge to non-profit Organizations under the CPMD Free License.

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  • Home
  • The Code
    • References
    • Publications related to CPMD
  • Download
    • Apply for a License
  • Documentation
    • Pseudo-Potentials
    • FAQs
    • Useful Links
    • Mailing List
  • Tutorial
    • Preparation and Installation Issues
    • The Basics of CPMD – Wavefunction Optimization
    • Exercise 1: Electron Structure and Geometry Optimization
    • Exercise 2: Car-Parrinello MD
    • Exercise 3: Bulk Systems
    • Exercise 4: Determination of Dynamical Properties
    • Exercise 5: Proton transfer in an Enzyme
  • Contact us
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