[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>*
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/wannier/attachments/20160311/884266e9/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: wanSr2.win
Type: application/octet-stream
Size: 41932 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/wannier/attachments/20160311/884266e9/attachment.obj>
More information about the Wannier
mailing list