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

shamik chakrabarti shamik15041981 at gmail.com
Sat May 11 10:38:49 CEST 2024


---------- 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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