[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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