[Wannier] Error in Calculating P-DOS

Dibyendu Dey dibyendu.bkp at gmail.com
Fri Mar 11 08:05:11 CET 2016


​​Dear Wannier90 users,
   I wanted to calculate the orbital projected density of states (PDOS) by
postw90.x. I have added the following lines to the case.win file to
calculate the dos.
(i) dos =  .true.
(ii) dos_kmesh = 25
(iiI) dos_project = 1,2,3 ..
Rest of the inputs are kept as it is. Whenever the number of dos_project
equals to num_wann (number of wannier functions) I get the total dos. But
when number of dos_project  is less than num_wann the following error
appears.
forrtl: severe (174): SIGSEGV, segmentation fault occurred and hence I am
not able to calculate the orbital projected DOS.
​  I am attaching the case.win file with this email. I would be glad if
anybody can help me in this regard.

Thanks,
Dibyendu

-- 
Dibyendu Dey
Research Scholar
Department of Physics
Indian Institute of Technology Kharagpur
Kharagpur-721302
West Bengal
India
Ph: +91-8017576744
Alternate Email:
*dibyendu at phy.iitkgp.ernet.in <dibyendu at phy.iitkgp.ernet.in>*
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