loc duong ding wrote: > The CRASH file content of the error is:
> from pzpotrf : error # 68 > problems computing cholesky decomposition this falls in the same category of the following: "pw.x stops with error in cdiaghg or rdiaghg" http://www.quantum-espresso.org/wiki/index.php/Troubleshooting_(PWscf)#pw.x_stops_with_error_in_cdiaghg_or_rdiaghg You should also try the "-ndiag 1" option to disable parallel distributed subspace diagonalization P. -- Paolo Giannozzi, Democritos and University of Udine, Italy
