[Wien] Error for sphere overlapping

[B Tankhilsaihan]

Dear Abo I have checked case.in0 it shows following:
    TOT  XC_PBE     (XC_LDA,XC_PBESOL,XC_WC,XC_MBJ,XC_REVTPSS)    NR2V
 How to manage this error if there is format difference.
RegardsBatsaikhan.T


     On Wednesday, June 3, 2015 7:01 AM, Gavin Abo <gsabo at crimson.ua.edu> wrote:
   

  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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