[Wien] (no subject)

[shamik chakrabarti]

Dear wien2k users,

                         I have tried to simulate force optimization of a
spinel cubic compound. Prior to this volume optimization has been run &
without getting any error. However, while the volume optimized struct file
(just changes the lattice parameter to the newly optimized parameter & kept
every other things intact) was used in initilization, during 'dstart' the
following error appears,

forrtl: severe (24): end-of-file during read, unit 81, file
/home/wien2k/Desktop/Wien_Computations/Aditya/MNT_f/MNT_f.rsp

Image              PC                Routine            Line
Source

dstart             0000000000456786  Unknown               Unknown  Unknown

dstart             000000000040F74E  init_                     132  init.F

dstart             000000000040E4B1  MAIN__                     15  dstart.F

dstart             0000000000403A36  Unknown               Unknown  Unknown

libc.so.6          0000003FE5E1ED5D  Unknown               Unknown  Unknown

dstart             0000000000403929  Unknown               Unknown  Unknown

0.006u 0.003s 0:00.04 0.0%           0+0k 0+32io 0pf+0w

error: command   /home/wien2k/Wien2k_5_7_2015/WIEN2k/dstart dstart.def
failed


It appears that there is some problem in case.rsp file.


Any response in this regard is highly appreciated.


Thanks in advance.


with regards,

-- 
Dr. Shamik Chakrabarti
Research Associate
Electroceramics Lab
Dept. of Metallurgical & Materials Engineering
IIT Kharagpur
Kharagpur 721302
INDIA
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