ABDULRAFIU RAJI wrote: > [..] But on getting to 4th image, while carrying out the 12th > iterations, it stopped again, displaying the similar error message
was it restarting from the 1st scf ityeration, or from the 11th? in the latter case, it was looking for files that presumably were not there. Check what the code has been writing when retsrting Paolo -- Paolo Giannozzi, Democritos and University of Udine, Italy
