[Wien] Fwd: Error in Parallel HF

[Peeyush kumar kamlesh]

After running bandstructure I have run following commands in terminal to
prepare a new k-mesh and Get following error


peeyush at Peeyush-PC:~/WIEN2k/case$ mv case.klist_fbz case.klist_fbz_old

peeyush at Peeyush-PC:~/WIEN2k/case$ mv case.klist_ibz case.klist_ibz_old

peeyush at Peeyush-PC:~/WIEN2k/case$ mv case.outputkgenhf case.outputkgenhf_old

peeyush at Peeyush-PC:~/WIEN2k/case$ run_kgenhf_lapw

This script runs 'x kgen' twice and generates equivalent meshes in the IBZ
and FBZ.

How many k-points in the full BZ?

If you type 0 you can give 3 integers for nx,ny,nz

9261

24 symmetry operations without inversion

inversion added (non-spinpolarized non-so calculation)

NUMBER OF K-POINTS IN WHOLE CELL: (0 allows to specify 3 divisions of G)

length of reciprocal lattice vectors: 1.183 1.183 1.183 21.000 21.000 21.000

286 k-points generated, ndiv= 21 21 21

KGEN ENDS

54.1u 0.0s 0:54.49 99.4% 0+0k 0+80552io 0pf+0w

1 symmetry operations without inversion

NUMBER OF K-POINTS IN WHOLE CELL: (0 allows to specify 3 divisions of G)

length of reciprocal lattice vectors: 1.183 1.183 1.183 21.000 21.000 21.000

Shift of k-mesh allowed. Do you want to shift: (0=no, 1=shift)

9261 k-points generated, ndiv= 21 21 21

KGEN ENDS

0.1u 0.0s 0:00.17 94.1% 0+0k 0+11872io 0pf+0w

peeyush at Peeyush-PC:~/WIEN2k/case$ run_lapw -hf -newklist -i 1 -p

hup: Command not found.

LAPW0 END

LAPW0 END

LAPW1 END

LAPW1 END

LAPW1 END

LAPW1 END

LAPW2 - FERMI; weights written

LAPW2 END

LAPW2 END

LAPW2 END

LAPW2 END

SUMPARA END

CORE END

error in read_cnk: wrong case.vectorhf_old

error in read_cnk: wrong case.vectorhf_old

error in read_cnk: wrong case.vectorhf_old

error in read_cnk: wrong case.vectorhf_old


> stop error

peeyush at Peeyush-PC:~/WIEN2k/case$

Regards
Peeyush Kumar Kamlesh
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