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Static calculations

Just remove the WAVECAR file and start from scratch, no parameters must be specified in the INCAR file. The defaults for some parameters will be:

ISTART =             0     #  startjob: no WAVECAR file  
ICHARG =             2     #  charge: from atoms     
INIWAV =             1     #  random initialization for wf.  
NELM   =             40    #  maximum of 40 electronic steps
NELMIN =              2    #  minimum of two steps
NELMDL =             -5    #  no update of charge for 3 steps 
EDIFF  =             10E-4 # accuracy for electronic minimization



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