The ABINIT Users Mailing List ( CLOSED )

["Acjldjk Lo" <abinit_lo@hotmail.com>]

Dear all

I am the new comer, and try to test the ab-initio software.
But I cannot get DOS-file, although I set prtdos=2.

My input file is batio.bat:

batio.in
batio.out
batioi
batioo
batiotmp
56ba.psp
22ti.psp
8o.psp
8o.psp


And the batio.in is:

acell 7.548510 7.548510 7.622480
ntypat 4
rprim 1 0 0
     0 1 0
     0 0 1
znucl 56 22 8 8
natom 5
typat 1 2 3 4 4
xred  0.0 0.0 0.0
     0.5 0.5 0.5
     0.5 0.5 0.0
     0.5 0.0 0.5
     0.0 0.5 0.5
xc 1
ecut 20
nstep 20
toldfe 1.0d-6
diemac 9.0
prtdos 2
dosdeltae 0.001
prtden 1


After I type "abinis <batio.bat >log"
I get following files:

./           22ti.psp     5dos.dat     batio.bat    batio.out    batioo_WFK
../          56ba.psp     8o.psp       batio.in     batioo_DEN   log

No DOS-file. The prtdos=2 not work. Who can tell me why?

Thank you

Lo

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