Hi, you should modify "DelataE" in your file with "DeltaE". Good luck!
PL Gong 在2015-05-24 18:47:15，[email protected]写道： Dear all, I am trying to run DOS calculations for ceria and I am getting this error though I am using &dos as required. I am new to using QE and to DFT calcualtions in general so can anyone let me know what's wrong, please. The error : Program DOS v.5.1.2 starts on 24May2015 at 12:39:43 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org";, in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 8 processors R & G space division: proc/nbgrp/npool/nimage = 8 *** namelist &inputpp no longer valid: please use &dos instead %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine dos (5010): reading dos namelist %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = PID 619 RUNNING AT CELSIUS-M470-2 = EXIT CODE: 1 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES =================================================================================== My input is &dos outdir='/home/dft/Desktop/Test/atom', prefix='ceria_examp' DelataE=.1, filedos='dout.dos' / EOF I am using the verison: QE 5.1.2 Thank you in advance, Sara Kilany
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