[Wien] Wien2k_16.1

Rajneesh Chaurasiya rajnano2012 at gmail.com
Tue Feb 14 13:27:47 CET 2017


Dear Wien2k users,
 I have optimized one perovskite based material in the past using wien2k_13
version and also computed properties but when i ran the same case.struct
file using wien2k_16.1 version under the same environment then it gives
error like

LAPW0 END
 LAPW1 END
forrtl: severe (39): error during read, unit 10, file
/home/IITJHOME/ambeshst/WIEN2k/GGA.vector
Image              PC                Routine            Line
Source
lapw2c             000000000051C01A  Unknown               Unknown  Unknown
lapw2c             000000000051AB95  Unknown               Unknown  Unknown
lapw2c             00000000004C96B6  Unknown               Unknown  Unknown
lapw2c             000000000047BE86  Unknown               Unknown  Unknown
lapw2c             000000000047B5F9  Unknown               Unknown  Unknown
lapw2c             000000000049FBF4  Unknown               Unknown  Unknown
lapw2c             0000000000466C74  read_vec_                 164
read_vec_tmp_.F
lapw2c             0000000000440443  l2main_                   661
l2main_tmp_.F
lapw2c             00000000004598DF  MAIN__                    716
lapw2_tmp_.F
lapw2c             00000000004040AC  Unknown               Unknown  Unknown
libc.so.6          000000344221D9C4  Unknown               Unknown  Unknown
lapw2c             0000000000403FB9  Unknown               Unknown  Unknown


Can you suggest me a possible reason behind it.

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