Dear QE users, I'm trying to reproduce the Li adsorption on a benzene ring reported in this paper (Chemical Physics Letters 573 (2013) 15–18) using vdW-DF. The calculations stopped without printing any error in the output file. The input and output files are attached in addition to the error file (DFT.exxx).
Please help in this regard. Thank you very much. Regards Saif Department of Physics, UFJF, Brazil
DFT.e2222
Description: Binary data
relax.in.in
Description: Binary data
relax.ou
Description: Binary data
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
