Dear experts
I am beginner in using this Quantum Espresso software and I need to
clarify my doubt regarding the same. I have installed QE-6.1 in ubuntu
16.04 LTS.I have installed QE in Laptop and I have checked the proper
installation by running the example files and successfully got the results.
But when I am trying to run for my own input, I got the error "bash: pw.x:
no input files in the directory". Please tell me how to solve this.
Right now I am doing calculations by coping pw.x from PW path and paste it
in the concerned directory and then I am running all the calculation.
When I am trying to calculate DOS for Ni, I got the following error while
running ni.dos.in. (I have enclosed my input files herein)
I am using the following command to run scf, nscf and dos
For scf: ./pw.x <ni.scf.in >ni.scf.out
For nscf: ./pw.x <ni.nscf.in >ni.nscf.out
For dos: ./dos.x <ni.dos.in >ni.dos.out (Error: Error in routine dos (1):
reading dos namelist)
Am I running correct or not?
For dos:./pw.x <ni.dos.in >ni.dos.out (Error in routine read_namelists (1):
bad line in namelist &control: "" (error could be in the previous
line))
For dos: ./pp.x <ni.dos.in >ni.dos.out (Error in routine postproc (1):
reading inputpp namelist)
Which one is correct: ./dos.x <ni.dos.in >ni.dos.out (or)
./pw.x <ni.dos.in >ni.dos.out (or)
./pp.x <ni.dos.in >ni.dos.out?
Please help me to fix these errors and help me to plot dos..
Regards
Sudha Priyanka
ni.scf.in
Description: Binary data
ni.nscf.in
Description: Binary data
ni.dos.in
Description: Binary data
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