[Pw_forum] vc-relax example
David Prendergast
prendergast2 at poptop.llnl.gov
Wed Jul 7 20:41:37 CEST 2004
Hi,
Is there a working example input file which applies the variable cell
relaxation (vc-relax) option in PWscf?
I am having some problems converging the cell parameters for a hexagonal
system and the output does not seem to reflect what I would expect.
David.
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David Prendergast
Quantum Simulations Group phone: (925) 423-2202
Lawrence Livermore National Laboratory fax: (925) 422-6594
P.O. Box 808, L-415, Livermore, CA 94551 email: prendergast2 at llnl.gov
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