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
InN44.cif
Description: CIF chemical test
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