You can use Wien2k_19.1 too. You need to specify the path of mstar code. Bhamu
On Fri, Mar 19, 2021 at 9:43 AM Ramazan KATIRCI <ramazankati...@sivas.edu.tr> wrote: > Sorry, I forgot to send th name of the article: Its name is "Perturbation > approach to ab initio e ective mass calculations" > > ----- Original Message ----- > From: "Ramazan KATIRCI" <ramazankati...@sivas.edu.tr> > To: "wien" <wien@zeus.theochem.tuwien.ac.at> > Sent: Friday, March 19, 2021 7:11:57 AM > Subject: Re: [Wien] about effective mass > > 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 > _______________________________________________ > 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 >
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