[Pw_forum] How to handle the i/o error in davcio problem in NEB calculations

Paolo Giannozzi giannozz at democritos.it
Tue Jul 1 16:16:35 CEST 2008


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


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