[Pw_forum] Pw_forum Digest, Vol 26, Issue 34

[Lorenzo Paulatto]

In data 11 agosto 2009 alle ore 17:19:09, Dimpy Sharma  
<dimpy.sharma at tyndall.ie> ha scritto:
> At this position the Hydrogen atom has got coordiantes a 0.000000 in all  
> the three axes. Thus any other suggestions??

Dear Dimpy,
probably you have set ntyp to the wrong value (smaller then it should be).  
You may have noticed that, in the first few of lines of output, the code  
issued a warning, saying that it had ignored one input line.

I've noticed that it is the second question you've asked in two days  
regarding some trivial syntactical inconsistence (btw, was yesterday  
solution correct?). Please take some time and recheck your input file  
carefully; after writing it, relax take a cup of coffee and recheck it. It  
takes some time, but saves times in the end.

Finally, provide your input file when asking for help, it is much more  
difficult to find an error in a file without being able to read it.

best regards


-- 
Lorenzo Paulatto
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