How was the calculation you restart from obtained? Normal end with no convergence, stopped for cpu time limit, stopped by user with EXIT file?
P. On Wed, 2015-02-04 at 17:14 +0000, Juliana Morbec wrote: > Dear All. > > > I am trying to perform vc-relax calculations (with version 5.1.1), but > when I try to restart the calculations I got the following error > message: > > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > Error in routine pw_readfile (1): > error opening xml data file > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > > I have tried this calculation in two different machines and got the > same error. I am sending here my input and output files. > > > Could someone help me with this problem, please? > > > Thank you, > > > Dr. Juliana M. Morbec > Postdoctoral Researcher > Institute for Molecular Engineering, The University of Chicago > > > > > > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
