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SYSTEM

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Revision as of 11:58, 24 February 2017 by Karsai (talk | contribs) (Example Calculations using this Tag)
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SYSTEM = [string]
Default: SYSTEM = unknown system 

Description: The "title string" defined by SYSTEM is for the user only and should help the user to identify what he wants to do with this specific input file.


The SYSTEM tag is followed by a string which possibly contains blanks. The string is read in and written to the main output file OUTCAR.

Example Calculations using this Tag

Alpha-AlF3, Alpha-SiO2, Beta-tin Si, Cd Si, Cd Si relaxation, Cd Si volume relaxation, CO, CO on Ni 111 surface, CO partial DOS, CO vibration, Collective jumps of a Pt adatom on fcc-Pt (001): Nudged Elastic Band Calculation, Constraining local magnetic moments, Constrained MD using a canonical ensemble, Constrained MD using a microcanonical ensemble, Constraining the local magnetic moments, Determining the Magnetic Anisotropy, Dielectric properties of Si using BSE, Estimation of J magnetic coupling, Fcc Ni, Fcc Ni (revisited), Fcc Ni DOS, Fcc Ni DOS with hybrid functional, Fcc Si, Fcc Si bandstructure, Fcc Si DOS, H2O vibration, Including the Spin-Orbit Coupling, liquid Si, Model BSE calculation on Si, Ni 100 surface bandstructure, Ni 100 surface DOS, Ni 100 surface relaxation, Ni 111 surface high precision, NiO, NiO GGA+U, NiO HSE06, NiO LSDA, NiO LSDA+U, O atom, O atom spinpolarized, O atom spinpolarized low symmetry, O dimer, Partial DOS of CO on Ni 111 surface, Relaxed geometry, Si bandstructure, Spin-orbit coupling in a Fe monolayer, Spin-orbit coupling in a Ni monolayer, Standard relaxation, STM of graphene, STM of graphite, TS search using the Improved Dimer Method, TS search using the NEB Method, Vibrational Analysis of the TS, Vibrational frequencies of CO on Ni 111 surface


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