[Wien] Regarding the stop error in non-spin polarized spin orbit calculations

mandeep hooda mandeep103 at gmail.com
Fri May 25 10:59:52 CEST 2018


Dear Wien2k users,
                               I am using wien2k version 14.2.  While
trying to do spin-orbit calculations, I am facing stop error in the
calculations which I am not able to sort out. I followed manual and youtube
videos but nothing moved against it. I have attached error file. Please
guide me for spin orbit calculations of non- magnetic case.

Thanking you in the advance
Mandeep Kumar Hooda

>
stop error
error: command
/home/csy/wein2k/WEIN2k/lapwso lapwso.def
failed
>
lapwso -c (12:22:00) 6.7u 0.0s 0:06.82 99.8% 0+0k 280+27384io 1pf+0w
>
lapw1
-c
(10:20:26) 7256.1u 22.6s 2:01:34.37 99.7% 0+0k
0+23704672io 0pf+0w
>
lapw0
(10:20:11) 15.0u 0.0s 0:15.06 99.9% 0+0k 0+8288io 0pf+0w
cycle 1 (Thu May 24 10:20:11 IST 2018)
(40/99 to go)
start (Thu May 24 10:20:11 IST 2018) with lapw0 (40/99 to go)
using WIEN2k_14.2 (Release 15/10/2014) in /home/csy/wein2k/WEIN2k
on csy-Lenovo-H30-50 with PID 9166
Calculating Zr3Te_SO in /home/csy/WIEN2k/Zr3Te_SO
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