[Wien] Fwd: unit of eval in case.in2

Peter Blaha peter.blaha at tuwien.ac.at
Sat May 11 16:28:51 CEST 2024


Please read the UG. This is not a valid question for the mailing list.

Am 11.05.2024 um 10:38 schrieb shamik chakrabarti:
>
>
> ---------- Forwarded message ---------
> From: *shamik chakrabarti* <shamik15041981 at gmail.com>
> Date: Thu, 9 May 2024 at 19:50
> Subject: Re: unit of eval in case.in2
> To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>
>
> Is it that we have to use either 0 or 0.0018 for room temperature 
> broadening?
>
> On Thu, 9 May 2024, 17:40 shamik chakrabarti, 
> <shamik15041981 at gmail.com> wrote:
>
>     sorry the query should be eval to 0.00 or 0.0018?
>
>     On Thu, 9 May 2024 at 17:39, shamik chakrabarti
>     <shamik15041981 at gmail.com> wrote:
>
>         Dear Wien2k users,
>
>                         I have a query. What is the unit of eval in
>         case.in2. I want to change TETRA to TEMP in case.in2. Should I
>         change the eval to 0.018 or kept it to 0 ?
>
>         Looking forward to your response in this regard.
>
>         with regards,
>
>         -- 
>         Dr. Shamik Chakrabarti
>         Research Fellow
>         Department of Physics
>         Indian Institute of Technology Patna
>         Bihta-801103
>         Patna
>         Bihar, India
>
>
>
>     -- 
>     Dr. Shamik Chakrabarti
>     Research Fellow
>     Department of Physics
>     Indian Institute of Technology Patna
>     Bihta-801103
>     Patna
>     Bihar, India
>
>
>
> -- 
> Dr. Shamik Chakrabarti
> Research Fellow
> Department of Physics
> Indian Institute of Technology Patna
> Bihta-801103
> Patna
> Bihar, India
>
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-- 
-----------------------------------------------------------------------
Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email:peter.blaha at tuwien.ac.at           
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