[Wien] GLLB-SC potential
Gavin Abo
gsabo at crimson.ua.edu
Sun Dec 9 16:44:47 CET 2018
FYI, that error is probably because X and Y have not been replaced by
numbers like:
x lapw2 -all 0.691 0.692
For the X and Y values used in your case, you might try checking the
:log file after running "run_deltagllb_lapw".
You will probably see something different from but similar to:
> (run_lapw) options: -deltaglib -i 1 -NI
...
(x) lapw2 -all .6936650084 .6937750084
...
> But as per the userguide (page 58), next I tried "x lapw2 -all X Y"
> and it crashed.
> [ADC at login2 MgO]$ x lapw2 -all X Y
> forrtl: severe (64): input conversion error, unit 5, file /MgO/MgO.in2
> Image PC Routine Line Source
> lapw2 00000000004888FE Unknown Unknown Unknown
> lapw2 00000000004B1648 Unknown Unknown Unknown
> lapw2 0000000000456579 MAIN__ 330
> lapw2_tmp_.F
> lapw2 00000000004046AE Unknown Unknown Unknown
> libc.so.6 00002AAD499612E0 Unknown Unknown Unknown
> lapw2 00000000004045AA Unknown Unknown Unknown
> 0.005u 0.017s 0:00.04 25.0% 0+0k 32520+16io 94pf+0w
> error: command /home/software/Build_WIEN2k_18.2_M01/bin/lapw2
> lapw2.def failed
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