[Pw_forum] about davcio error

Paolo Giannozzi giannozz at democritos.it
Wed Aug 20 21:11:05 CEST 2008

On Aug 15, 2008, at 11:41 , only1xiaoyuan wrote:

> I am about to calculate g tensor of EPR using GIPAW,
> but there are some questions .Could anyone tell me
> what means the following error message:
> ----------------------------------
> from davcio : error #        14
>  error while reading from file
> -----------------------------------

it means that there was an error while reading from file
(opened as fortran unit 14)

>  is it due to lda+U in scf calculation?

please try a calculation without U and answer by yourself

Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222

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