Thank you Prof. Blaha
I followed the steps:
1.
made case.struct
2.
./command_init_lapw
3.
./T_command_run_lapw
USUALLY, TETRAGONAL SYMMETRY HAS INTERNAL COORDINATE AND YOU MUST RELAX
YOUR COMPOUND.
For calculation C11+C12 , C33, and Czz symmetry of tetragonal compound does
n
I am running tetra-elast for elastic constant calculation (for the given
example PtSi). C11+c12, C33, Czz run quite well but for C11-C12, C44,
C66 i face the following error. Please suggest the possible solution.
DSTART - Error
** dstart crashed!
cat: No match.
0.0u 0.0s 0:00.03 0.0% 0+0k 0+48
2 matches
Mail list logo