[Wien] Error for plotting the band structure of RbPbI3 with SOC
Subhasis Panda
onnyorup.iit at gmail.com
Fri Sep 20 11:10:24 CEST 2019
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
Unknownlibc-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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