[Pw_forum] About gaussian cubic format

[Lorenzo Paulatto]

In data 28 ottobre 2009 alle ore 16:49:42, saqib javaid  
<javaid at ipcms.u-strasbg.fr> ha scritto:
> i found that
> inter atomic distances are the same as in SCF input file, but origin for
> plotting has changed. I hope i am clear enough this time...

Dear Saqib,
it does not come from the Gaussian file, but from XCrysDen itself, which  
translates all the atoms inside the primitive unit cell. If you want all  
the atoms in they original positions follow the menu Displa -> Unit of  
repetition -> translational asymmetric unit.

best regards

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Lorenzo Paulatto
SISSA  &  DEMOCRITOS (Trieste)
phone: +39 040 3787 511
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