[CPMD-list] no RESTART file
Martijn Zwijnenburg
M.A.Zwijnenburg at tnw.tudelft.nl
Tue May 28 15:06:12 CEST 2002
Hi,
Yesterday I started an optimization job, which went fine, but created
no RESTART nor LATEST file. This to my great suprise since all
previous calculations always created RESTART, LATEST and
HESSIAN files. The difference with previous calculations are that I
now included STEEPEST DESCENT ELECTRONS IONS CELL
and changed the symmetry to 14 rather then 1.
Does above settings make a RESTART file impossible or do i have
to include a specific keyword to generate a RESTART file.
cheers,
Martijn
-------------------------------------------------------------------------
Martijn Zwijnenburg
Lab. of Applied Organic Chemistry and Catalysis
Delft University of Technology
Julianalaan 136
2628 BL Delft
The Netherlands
Tel: 0031-(0)152782691
Fax: 0031-(0)152784700
e-mail: M.A.Zwijnenburg at tnw.tudelft.nl
web page: http://come.to/tock
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