[Wien] Can I perform the calculation of elastic constants for CoSi?

Pan Zhijun panzhijun2002 at sjtu.edu.cn
Wed Apr 14 11:18:19 CEST 2004


Hi,users of WIEN2K:
   I posted this piece of information for help several days ago.But the information has not been posted in the mailing list.So,I have to repeat it.I wanna get some help from experts.
   I have tried to perform the elastic constants calculaton for CoSi.But I failed to get the results.The calculation for eos.job was ok.However,no results were attainable for rhomb.job and tetra.job.The rhomb.struct and tetra.struct were empty.Theoretically,the elastic constants of CoSi can be calculated using WIEN2K because the space group number of CoSi is 198 and its structrue is cubic.How can I perform the elastic constants calculation for CoSi correctly? Please help me.Thank you in advance.  



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