[Wien] x space -c

Rajneesh Chaurasiya rajnano2012 at gmail.com
Thu Nov 17 13:07:27 CET 2016


Dear Sir,

I have computed the Electronic and optical properties of AlN monolayer

which is matched with the available results and in the next step i
want to perform

same exercise for InN but in the initialization, space group of the
InN monolayer

couldn't find and error occurs like

Error lat==HEXAGONAL in det_pgrp()
diff: InN.outputsgroup: No such file or directory
Error lat==HEXAGONAL in det_pgrp()
0.000u 0.012s 0:00.00 0.0%	0+0k 0+0io 0pf+0w
error: command   /home/IITJHOME/ambeshst/win2k13mpi/sgroup -wi
InN.struct -wo InN.struct_sgroup  -set-TOL=0.00001   failed

 cif file of the InN is attached through this mail.

Before this, i never face such types of problem. so please tell me where is
my mistakes

-- 
Thanks & Regards
Rajneesh Chaurasiya
Research Scholar
IIT Jodhpur, India
Mob. No. +91-9584499697
              +91-7610950803
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