[Pw_forum] How to perform density of states calculation

[Amitha]

It is filename.in. For ease, I name it as filenameDOS.in

---
best wishes
amitha

Dr.B.E.Amitha rani
Principal Scientist
SED,NAL, Bangalore
9481025441
080-25086473

On 08.10.2015 08:51, Vishal Gupta wrote:
> Dear Mr. Brahma,
> Actually I cant understand how the input files should be named. Lets
> suppose this is the input file for Dos calculation :-
> 
>  &DOS
>                       prefix = '0' ,
>                       outdir = '/home/vishalgupta' ,
>                       fildos = '0' ,
>                       ngauss = 0 ,
>                       DeltaE = 0.01 ,
>  /
> 
> So the pw.x input file for which we want to calculate Dos, how should
> it be named ?
> 0.pw.in [3]  or  0.in [4]
> 
> Thank You
> Vishal
> 
> On Thu, Oct 8, 2015 at 8:11 AM, Bramha Pandey
> <pandey.bramha at gmail.com> wrote:
> 
>> Dear vishal,
>> Until you wouldn't give info about your system, hardly anyone can
>> help. Major problem due to wrong input file parameters are
>> responsible or out directory may be read write problem...anything.
>> 
>> On 08-Oct-2015 12:55 AM, "Vishal Gupta" <vishal.gupta at iitrpr.ac.in>
>> wrote:
>> 
>>> I've been trying to perform a Dos calculation but it gives this
>>> error every time :-
>>> __________________________
>>> error in routine pw_readfile (1):
>>> error opening xml data file.
>>> __________________________
>>> Can somebody please tell me how to perform Dos calculation for a
>>> pw.x input file way.in [1] ?
>>> Thank you.
>>> Vishal Gupta
>>> B.Tech. 3rd year Mechanical
>>> Indian Institute of Technology Ropar
>>> Rupnagar (140001), Punjab, India.
>>> _______________________________________________
>>> Pw_forum mailing list
>>> Pw_forum at pwscf.org
>>> http://pwscf.org/mailman/listinfo/pw_forum [2]
>> 
>> _______________________________________________
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://pwscf.org/mailman/listinfo/pw_forum [2]
> 
> 
> 
> Links:
> ------
> [1] http://way.in
> [2] http://pwscf.org/mailman/listinfo/pw_forum
> [3] http://0.pw.in
> [4] http://0.in
> 
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum