[Wien] about effective mass

[Ramazan KATIRCI]

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" <ramazankatirci at sivas.edu.tr>
To: "wien" <wien at 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" <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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