[Wien] (no subject)

[Gavin Abo]

I don't see the case.struct attached and all the input/output of 
init_lapw up to dstart. So I can only guess that the error is likely 
caused by a problem with your case.struct [1-3].

[1] 
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10795.html
[2] 
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg12703.html
[3] 
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg07603.html

On 5/2/2016 8:02 AM, shamik chakrabarti wrote:
> 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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