[Pw_forum] How to run and plot DOS in qe-6.1

Sudha Priyanka sudhapriyanga24 at gmail.com
Mon Oct 9 19:38:20 CEST 2017

Dear Manu,
   Thank you so much. I will try as per your suggestion.


On 09-Oct-2017 10:03 pm, "Manu Hegde" <mhegde at uwaterloo.ca> wrote:

> looks like you have not provided the PATH in bash file. do something like
> this
> export PATH=$PATH:/complete_path_to_espresso-6.1*/bin/
> On Mon, Oct 9, 2017 at 4:32 AM, Sudha Priyanka <sudhapriyanga24 at gmail.com>
> wrote:
>> 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
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