lamp_mac/ATOMS/
xdat2cont.pro
top xdat2cont
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 |