Dear PWSCF users and developers Now I carry out simulation of polar surfaces of iron oxides, but when I try to restart a calculus, this fails and reports the message "error while reading from file ./wfcdir/prefix.wfc1". When I search for this file in the directory ./wfcdir this is present but shows 0 bytes. The Namelist &CONTROL for this calculus is
&CONTROL restart_mode = 'restart' , calculation = 'relax' , wf_collect = .true. , outdir = './outdir' , wfcdir = './wfcdir' , pseudo_dir = '/opt/espresso-5.1.2/pseudo/' , prefix = 'magh-slab100-3v124-111-pbeUwithcorrefield01-relax02' , etot_conv_thr = 1.0D-5 , forc_conv_thr = 1.0D-4 , nstep = 500 , tefield = .true. , dipfield = .true. , I'm using of the QE 5.1.2 version, compiled in centOS 7 on a Dell tower server with 16 processors and 16 Gb of memory I hope all your help Yenner Student of PhD Central University of Venezuela Science Faculty, Department of Chemistry _______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum