nt-updn, I think I might have had to combine all plasma
>> frequencies from case.outputjointup and case.outputjointdn in case.inkram
>> for "x kram" to run without error.
>>
>>
>> On 8/9/2020 5:05 AM, Tran, Fabien wrote:
>>
>> According to the u
t
reads this 5th line.
*From:* Wien
<mailto:wien-boun...@zeus.theochem.tuwien.ac.at> on behalf of
Chukwuemeka Okoye
<mailto:cmi.ok...@unn.edu.ng>
*Sent:* Sunday, August 9, 2020 11:36 AM
--------------
> *From:* Wien
> on behalf of Chukwuemeka Okoye
>
> *Sent:* Sunday, August 9, 2020 11:36 AM
> *To:* A Mailing list for WIEN2k users
> *Subject:* Re: [Wien] Calculating x kram with intra-band contribution
>
> Hi,
> Please, here is abc.inkram
vided. Two values are
probably not enough because the code fails when it reads this 5th line.
*From:* Wien on behalf of
Chukwuemeka Okoye
*Sent:* Sunday, August 9, 2020 11:36 AM
*To:* A Mailing list for WIEN2k users
*S
Sent: Sunday, August 9, 2020 11:36 AM
To: A Mailing list for WIEN2k users
Subject: Re: [Wien] Calculating x kram with intra-band contribution
Hi,
Please, here is abc.inkram:
0.1Gamma: broadening of interband spectrum
0.0energy shift (scissors operator)
1 add intraband contributions? yes/
our input file
> abc.inkram. Show us this file.
>
>
>
> --
> *From:* Wien on behalf of
> Chukwuemeka Okoye
> *Sent:* Sunday, August 9, 2020 11:05 AM
> *To:* A Mailing list for WIEN2k users
> *Subject:* Re: [Wien] Calculating x kram wi
n or in kram.error)??
From: Wien
mailto:wien-boun...@zeus.theochem.tuwien.ac.at>>
on behalf of Chukwuemeka Okoye
mailto:cmi.ok...@unn.edu.ng>>
Sent: Sunday, August 9, 2020 10:59 AM
To: A Mailing list for WIEN2k users
Subject: [Wien] Calculating x kram with intra-b
* Sunday, August 9, 2020 10:59 AM
> *To:* A Mailing list for WIEN2k users
> *Subject:* [Wien] Calculating x kram with intra-band contribution
>
>
> Dear all,
> I am trying to calculate optical properties for a spin-polarized
> half-metal. x optic, x joint ( with both options 6
Hi,
What is the error message (either on the screen or in kram.error)??
From: Wien on behalf of Chukwuemeka
Okoye
Sent: Sunday, August 9, 2020 10:59 AM
To: A Mailing list for WIEN2k users
Subject: [Wien] Calculating x kram with intra-band contribution
Dear
Dear all,
I am trying to calculate optical properties for a spin-polarized
half-metal. x optic, x joint ( with both options 6 & 4 as specified) all
ran smoothly. Without intra-band i.e 0 in line 3 of inkram, x kram
executed smoothly also. However, when intra-band contribution is added by
using '1
Hi,
What is the error message (either on the screen or in kram.error)??
From: Wien on behalf of Chukwuemeka
Okoye
Sent: Sunday, August 9, 2020 1:25 AM
To: A Mailing list for WIEN2k users
Subject: [Wien] Calculating x kram with intra-band contribution
Dear
Dear all,
I am trying to calculate optical properties for a spin polarized
half-metal. x optic, x joint( with both options 6 & 4 as specified) all
ran smoothly. Without intra-band i.e 0 in line 3, x kram ran smoothly
also. However, when intra-band contribution is added by using '1' as input
in li
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