[Wien] about effective mass

[Peter Blaha]

Not yet released, but probably in a couple of weeks.

Am 19.03.2021 um 05:11 schrieb Ramazan KATIRCI:
> In the article below, it says hat WIEN2k version 20.1 wasused. This version is not availabe on the website. I could not find this version. Where can I find it.
> 
> Best regards
> 
> 
> ----- Original Message -----
> From: "Rubel, Oleg" <rubelo at mcmaster.ca>
> To: "wien" <wien at zeus.theochem.tuwien.ac.at>
> Sent: Thursday, March 18, 2021 11:27:40 PM
> Subject: Re: [Wien] about effective mass
> 
> It can be related to "WIEN2k compatibility note" in README.md (https://github.com/rubel75/mstar)
> 
> ________________________________________
> From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Ramazan KATIRCI <ramazankatirci at sivas.edu.tr>
> Sent: Thursday, March 18, 2021 13:36
> To: wien
> Subject: Re: [Wien] about effective mass
> 
> Hello,
> 
> Thank you so much, your suggesions about the scratch solved my problem. But another problem emerged. I added the bash output error below. This problem emerged when the mstar program run. The other script (scf, optic etc.) completed normally. Thank you in advance for your help.
> 
> The bash output:
>   The input file w2_3.mommat2up was found.
>    number of lines in mommat file = 327804
>   Entering the main loop...
>   ERROR reading the line from mommat file containing
>        1   1-0.129114E-16-0.348249E-10 0.671895E-17-0.174125E-10 0.313031E-16-0.174125E-10   0.00000000
> line number 5
>   while expecting something like this
>        1  32 0.270604E-02 0.659085E-03 0.555417E-03-0.308709E-02-0.132694E-11-0.600436E-11   2.35217055
> (base) -bash-4.2$
> 
> 
> Sincerely
> Ramazan
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-- 
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
WWW:   http://www.imc.tuwien.ac.at
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