&dos prefix='Tungsten' outdir='W_output/' ngauss=1 degauss=1.5d-2 DeltaE=1.0d-2 fildos='Tungsten.dos' /
Note that the error might be in the way you provide the input, not in the namelist itself (which looks to me 100% correct) Paolo Hi Paolo, Thank you for your help. Yes, it’s the way i provide the input. I changed from mpirun -np 1 xx/dos.x -npool 1 -i W.dos.in > W.dos.out >> dos.x <W.dos.in> W.dos.out It works! Thanks again for your suggestion. Best, Yichen
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
