Hi,
I would like to calculate the potential energy profile along the z-axis of
a system.
I am using pp.x, but I am running into an error: "namelist plot not found
or invalid, exiting"
I realize this is a fairly common error but I wasn't yet able to find the
reason for this problem...
Here is my input:
- - - - -
&inputpp
prefix = 'pwscf' ,
outdir = 'bulkQuartz/' ,
filplot = 'tmpFP' ,
plot_num = 1,
/
&plot
nfile = 1 ,
weight(1) = 1.0,
iflag = 1,
fileout = 'tmpFileout',
e1(1) = 0,
e1(2) = 0,
e1(3) = 1,
x0(1) = 0,
x0(2) = 0,
x0(3) = 0,
nx = 2,
/
- - - - -
Best Regards,
Dan Gil
PhD Candidate
Department of Chemical and Biomolecular Engineering
Case Western Reserve University
_______________________________________________
users mailing list
users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users
