[Wien] about effective mass

Ramazan KATIRCI ramazankatirci at sivas.edu.tr
Thu Mar 18 04:51:31 CET 2021


I want to add some explanation to the question below I asked yesterday. When I examined the "upoptic.error" file, I encountered the error below. What is the solution of my problem. Because of this problem, I cannot run the mstar command.

upoptic.error file
'OPTIC' -  can't open unit: 10                                               
 'OPTIC' -  filename: /home/wien2k/jobs_w2/scratch/Si.vectorsoup              
 'OPTIC' -  status: OLD          form: UNFORMATTED   


Sincerely
Ramazan


----- Original Message -----
From: "Ramazan KATIRCI" <ramazankatirci at sivas.edu.tr>
To: "wien" <wien at zeus.theochem.tuwien.ac.at>
Sent: Wednesday, March 17, 2021 5:56:24 PM
Subject: [Wien] about effective mass

Hello, 

I installed mstar program. I run the script given in githup site. I am getting the error below. Nomally "Wien2k.mommat2up" file is created. But inside is empty. its size zere. How can I solve this problem.



 Detected input arguments = 2
 Input mommat file = Wien2k.mommat2up
 Degeneracy tolerance dEtol = 1e-5 [Ha]
 Confirming text-to-number conversion dEtol =  1.00000E-05 [Ha]
 The input file Wien2k.mommat2up does not exist. Exiting
 Detected input arguments = 2
 Input mommat file = Wien2k.mommat2up
 Degeneracy tolerance dEtol = 1e-5 [Ha]
 Confirming text-to-number conversion dEtol =  1.00000E-05 [Ha]
 The input file Wien2k.mommat2up does not exist. Exiting


Sincerely
Ramazan
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