[CPMD-list] WANNIER CODE WARNING
N. Jiten Singh
jiten at postech.ac.kr
Sat Oct 11 13:27:18 CEST 2003
To CMPD community,
Could anybody tell me the follwing error in the *.out file during CP Molecular Dynamics run with WANNIER WFNOUT LIST DENSITY
WANNIER CODE WARNING: GRADIENT FOR RESTA FUNCTIONAL IS GMAX=0.118E-02
Does it mean any serous error in the calculation.
Thanking in advance,
Sincerely,
N. Jiten Singh
N. Jiten Singh
Center for Superfunctional Materials
Department of Chemistry
Pohang University of Science and Technology
San 31, Hyojadong, Namgu
Pohang 790-784, Korea
Phone : 82-54-279-5853 ( Lab )
Fax : 82-54-279-8137 (or +82-54-279-3399)
Web : http://csm.postech.ac.kr/ and http://www.postech.ac.kr/e
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