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#1 2019-03-13 14:40:59

juno
Member
Registered: 2019-03-13
Posts: 2

[SOLVED] .grid and .dos.grid files not generated

Dear All,

I am new trying to run a sample calculation but I am not getting the .grid and .dos.grid files in my output. Following is the input:

&GATEWAY
   coord=benzene.xyz
   basis = ANO-S-VDZ
   group = C1
&SEWARD
&SCF
&GRIT_IT
   ASCII
   ALL

what else is required in the input file ?

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#2 2019-03-13 14:53:28

Ignacio
Administrator
From: Uppsala
Registered: 2015-11-03
Posts: 558

Re: [SOLVED] .grid and .dos.grid files not generated

Maybe NOLUscus.

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#3 2019-03-13 15:04:16

juno
Member
Registered: 2019-03-13
Posts: 2

Re: [SOLVED] .grid and .dos.grid files not generated

Thanks a lot
That helped smile

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