[Wien] Error for sphere overlapping

[Gavin Abo]

As the error indicates, there is a problem with the contents of the 
c-mini.in0 file.  Without seeing what is in c-mini.in0, it is hard to 
know what is wrong.

The case.in0 format has changed between 13.1 and 14.2.  The functionals 
used to be specified with a number like "13" for PBE, but now they are 
specify with a string like "XC_PBE".  So maybe the problem is due to the 
format changed.  For details on the new format of case.in0, see section 
"7.1.3 Input" on page 106 of the WIEN2k 14.2 usersguide [ 
http://www.wien2k.at/reg_user/textbooks/usersguide.pdf ].

On 6/2/2015 10:39 AM, B Tankhilsaihan wrote:
> Hello Abo
> Thank you for your help
> I updated software now i am running on Wien2k_14.2
> when i run mini_position do i need to restore previous SCF calculation 
> or It does new SCF itself ?
> Is there something to do with previous SCF calculation in the 
> mini_position?
> I assuming "not" and created new session but i got error when I do 
> initialization.
> The error occurs in  "x dstart" as following
>
> forrtl: severe (24): end-of-file during read, unit 14, file /home/wgfkp/WIEN2k/c-mini/c-mini.in0
> Image              PC                Routine            Line        Source
> dstart             0000000000455C26  Unknown               Unknown  Unknown
> dstart             00000000004108D6  make_inter_                35  make_inter.F
> dstart             000000000040D988  MAIN__                     21  dstart.F
> dstart             0000000000402ED6  Unknown               Unknown  Unknown
> libc.so.6          00002B61153F1A40  Unknown               Unknown  Unknown
> dstart             0000000000402DC9  Unknown               Unknown  Unknown
> 3.4u 0.1s 0:03.55 99.7% 0+0k 0+13120io 0pf+0w
> error: command   /home/wgfkp/wien2k/dstart dstart.def   failed
>
>
> Inputs are same as previous calculation which is done without error.
>
>
> Regards
> Batsaikhan.T
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