[Wien] problem in intialization

2010-03-30 Thread Pooja Rana
Respected sir,
and dear wien2k users,
I am trying to run SCF in NaCl phase. Following error in dstart is reported 

'DSTART' - can't open unit: 15??? 
?'DSTART' -??? filename: cdo.in2c? 
?'DSTART' -? status: old? form: formatted? 

I have tried to solve it by changing RMTand global parameter, but i am unable 
to rectify the problem. 

Kindly help.

with many thanks and regards,

Pooja 




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[Wien] problem in intialization

2010-03-30 Thread Stefaan Cottenier

 I am trying to run SCF in NaCl phase. Following error in dstart is reported
 
 'DSTART' - can't open unit: 
 15   
  'DSTART' -filename: 
 cdo.in2c 
  'DSTART' -  status: old  form: 
 formatted 

The 'c' in in2c indicates that you want to do a complex calculation. But 
apparently you have only input files for a real calculation (cdo.in2). 
The NaCl phase should not lead to a complex calculation. If you use 
w2web, you have probably incorrectly ticked 'complex' in the session 
information.

Stefaan