Have you read in the mailing list archive about the "not treated with irrep" message? Example: https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08217.html

Have you tried the latest WIEN2k version (19.1) instead of the old 18.2?  WIEN2k updates page [ http://susi.theochem.tuwien.ac.at/reg_user/updates/ ] indicates some changes have been made for spaghetti and irrep:

VERSION_19.1: 17.6.2019

...

irreppara_lapw: small fix

...

SRC_spaghetti: bz_lin.f, spag.f (fix for arbitrary degeneracy in case.irrep, optional read of a "breakfactor" to adapt the breaks in a non-continuous bandstructure)

Have you read about the possible limitations of irrep with SO? Examples:

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg05693.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg14670.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg03667.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg04837.html

On 9/20/2019 3:10 AM, Subhasis Panda wrote:

Dear experts,
We have successfully calculated the bandstructure of RbPbI3 without SOC with wien2k_18.2. But the following error has been encountered when we were trying to calculate the bandstructure including SOC effect ..We are unable to find the possible reason and solution for the error. We solicit your valuable suggestions. Thanks in advance.

SPAGH: Read band energy from case.output1
  number of k-points read in case.vector=          51
  k-point nr            5  not treated with irrep
forrtl: severe (64): input conversion error, unit 30, file 
/media/kohn/NewVolume/WIEN2k/rbpbi3-SO1/rbpbi3-SO1.irrepsoup
Image              PC                Routine            Line        Source
spaghetti          0000000000467C6B  Unknown               Unknown  Unknown
spaghetti          000000000042BEC7  Unknown               Unknown  Unknown
spaghetti          0000000000429B83  Unknown               Unknown  Unknown
spaghetti          000000000040CB8E  MAIN__                    299  spag.f
spaghetti          0000000000402CC2  Unknown               Unknown  Unknown
libc-2.27.so  <http://libc-2.27.so/>        0000150F61E50B97  __libc_start_main 
    Unknown  Unknown
spaghetti          0000000000402BAA  Unknown               Unknown  Unknown
0.1u 0.0s 0:00.19 94.7% 0+0k 0+0io 0pf+0w
error: command   /home/kohn/WIEN2k_18.2/spaghetti upspaghetti.def   failed
--



Best regards,
------------------------------------------------------------
Dr. Subhasis Panda
Assistant Professor
Department of Physics
National Institute of Technology Silchar
Assam, India  - 788010.

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