Dear Experts,
Greetings!!!
[Wien2k_19.1 with intel 2015 parallel version]
[I will share original structure file/directory on your personal email].
Before writing here I have asked developer of the code and remained
unanswered.
#
I have tried Elastic_1.0 from" from Unsupported software goodies for few
compounds and worked fine. But for a particular distorted case (in ABX4
type structure)
P 4 10 P2/m
RELA
13.076905 12.925727 7.294343 90.000000 90.000000 90.369523
I am not able to fix the error.
During initialisation the system information disappears and I get below
corrupted structure file:
Dst11_04
P LATTICE,NONEQUIV.ATOMS: 4
MODE OF CALC=RELA unit=
13.076905 12.925727 7.294343 89.988541 90.000074 90.369523
4 NUMBER OF SYMMETRY OPERATIONS
-1 0 0 0.00000000
0-1 0 0.00000000
0 0-1 0.00000000
1
-1 0 0 0.00000000
0-1 0 0.00000000
0 0 1 0.00000000
2
1 0 0 0.00000000
0 1 0 0.00000000
0 0-1 0.00000000
3
1 0 0 0.00000000
0 1 0 0.00000000
0 0 1 0.00000000
4
I will supply full directory/details to only those who want to help me out.
Regards
Bhamu
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