[Pw_forum] atomic positions in xsf from cppp.x

[Riping WANG]

Dear Forum,

when I use cppp.x to generate an xsf file for an vc-cp output file with
nstep=1000, there will be cell vectors and atomic positions in xsf file.
what is this cell vectors and atomic positions stand for?
For average structure configuration of 1000 steps, or for average structure
configuration of one period, just for the last configuration of the this
calculation?

Part of input file are following:
 &control
    calculation = 'vc-cp' ,
    prefix = 'SiO2' ,
    restart_mode = 'restart' ,
    nstep = 1000 ,
    ndr = 51 ,
    ndw = 52 ,

Thank you very much.

WANG Riping
2011.3.8




-- 
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WANG Riping
Ph.D student,
Institute for Study of the Earth's Interior,Okayama University,
827 Yamada, Misasa, Tottori-ken 682-0193, Japan
Tel: +81-858-43-3739(Office), 1215(Inst)
E-mail: wang.riping.81 at gmail.com
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