[Wien] XCrySDen

2023-08-09 Thread delamora 
I am having problems with XCrySDen; the figures and the letters are very small.
I have the Fedora Linux;
---
Linux fedora 6.4.7-100.fc37.x86_64 #1 SMP PREEMPT_DYNAMIC Thu Jul 27 19:56:37 
UTC 2023 x86_64 x86_64 x86_64 GNU/Linux
---
In earlier versions I did not have this problem

Saludos

Pablo
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Re: [Wien] Clean_lapw before increasing number of k points in HSE06 calculation

2023-08-09 Thread shamik chakrabarti 
Thank you Prof. Tran!

On Wed, 9 Aug 2023 at 01:37,  wrote:

> clean_lapw should not be executed if the option -newklist is used for
> the second calculation. Otherwise, yes.
>
> In any case, save_lapw should be executed.
>
> -newklist is recommended to reduce the number of iterations.
>
> On 08.08.2023 18:22, shamik chakrabarti wrote:
> > Dear Wien2k users,
> >
> >  I have run a HSE06 calculation with 8 k points.
> > Now I want to run the same calculation by using 12 k points . Should I
> > need to run clean_lapw before increasing the number of k points?
> >
> >  Looking forward to hearing from you.
> >
> > with regards,
> >
> > --
> >
> > Dr. Shamik Chakrabarti
> > Research Fellow
> > Department of Physics
> > Indian Institute of Technology Patna
> > Bihta-801103
> > Patna
> > Bihar, India
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-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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