[Wien] question about TiC Fermi Energy

kongshi kongshi at hotmail.com
Sat Oct 8 04:38:09 CEST 2005


Dear users:

     I have some questions about the example TiC. There are several Fermi
Energy in example file.

And I run the file. I get the Fermi Energy is 0.65848 in Suse Linux with
Intel ifort ,mkl

I get the Fermi energy 0.81920 in IBM P650 with AIX xlf , essl.

I can't get the correct Fermi energy. I use the WIEN2k_05.5. 

Could you tell me how to solve, thank ahead.

And could you tell me the meaning of vol_0.0, vol_10.0

 

 

Beat regard

 

Kongshi 

 

/home/kohn/wien/TiC/TiC_scf.scf: EF (TETRAH.M.)=   0.74250

/home/kohn/wien/TiC/TiC_vol___0.0.scf: EF (TETRAH.M.)=   0.74247

/home/kohn/wien/TiC/TiC_vol__10.0.scf: EF (TETRAH.M.)=   0.65768

/home/kohn/wien/TiC/TiC_vol_-10.0.scf: EF (TETRAH.M.)=   0.84329

/home/kohn/wien/TiC/TiC_vol___5.0.scf: EF (TETRAH.M.)=   0.69829

/home/kohn/wien/TiC/TiC_vol__-5.0.scf: EF (TETRAH.M.)=   0.79078

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