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" <rub...@mcmaster.ca>
To: "wien" <wien@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-boun...@zeus.theochem.tuwien.ac.at> on behalf of Ramazan KATIRCI
<ramazankati...@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
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
--
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: bl...@theochem.tuwien.ac.at WIEN2k: http://www.wien2k.at
WWW: http://www.imc.tuwien.ac.at
-------------------------------------------------------------------------
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
