[Wien] Tetra-elastt error

2016-01-02 Thread Muhammad Sajjad
Dear Users 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. .machine0 : processors running dstart in single mode DSTART - Error ** d

Re: [Wien] Tetra-elastt error

2016-01-03 Thread Peter Blaha
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

Re: [Wien] Tetra-elastt error

2016-01-04 Thread Muhammad Sajjad
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