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MDALGO

Molecular dynamics is activated by setting IBRION=0, the specific simulation protocol is chosen using MDALGO:

MDALGO=0$ \vert$1$ \vert$2$ \vert$3$ \vert$11$ \vert$21$ \vert$13

Default
MDALGO=0



N.B. Requests for support are to be addressed to: vasp.materialphysik@univie.ac.at