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lamp_mac/ATOMS/

xdat2cont.pro


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xdat2cont, nstructures, nfirst

*** ********* ** User callable ** ** The call is e.g. xdat2cont, nstructures, nfirst ** ** files read automatically are CONTCAR and XDATCAR ** XDATCAR contains nframes ** CONTCAR gives scale factor, cell matrix, numbers of particles ** output will nstructures POSCAR files i.e. POSCAR.1, POSCAR.2 etc ** nfirst allows initial structures to be skipped

Parameters

nstructures
nfirst

File attributes

Modification date: Tue Oct 1 14:45:53 2013
Lines: 74