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<div class="user-editable" data-text="Say something" dir="auto" style="min-height: 17px; padding: 22px 22px 10px 28px;">I am having an issue computing the Raman spectrum for graphene. The output is as follows:</div>
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<p style="margin: 0px; font-stretch: normal; font-size: 10px; line-height: normal; font-family: Menlo;"># mode [cm-1] [THz] IR Raman depol.fact</p>
<p style="margin: 0px; font-stretch: normal; font-size: 10px; line-height: normal; font-family: Menlo;"> 1 -4834.05 -144.9213 0.0000*************** 0.7500</p>
<p style="margin: 0px; font-stretch: normal; font-size: 10px; line-height: normal; font-family: Menlo;"> 2 -0.00 -0.0000 0.0000*************** 0.7500</p>
<p style="margin: 0px; font-stretch: normal; font-size: 10px; line-height: normal; font-family: Menlo;"> 3 -0.00 -0.0000 0.0000*************** 0.7500</p>
<p style="margin: 0px; font-stretch: normal; font-size: 10px; line-height: normal; font-family: Menlo;"> 4 0.00 0.0000 0.0000*************** 0.7500</p>
<p style="margin: 0px; font-stretch: normal; font-size: 10px; line-height: normal; font-family: Menlo;"> 5 0.00 0.0000 0.0000*************** 0.7500</p>
<p style="margin: 0px; font-stretch: normal; font-size: 10px; line-height: normal; font-family: Menlo;"> 6 0.00 0.0000 0.0000*************** 0.7500</p>
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<p style="margin: 0px; font-stretch: normal; font-size: 10px; line-height: normal; font-family: Menlo;">I did the relaxation and scf calculations using LDA, with a cutoff of 120 Ry, and force convergence of 1.0d-6, etot convergence of 1.0d-8, and electronic convergence of 1.0e-10. I used a 30 30 1 kpoint grid and used the grimme-d2 van der waals option. I also did not include smearing as the phonon calculation yelled at me when I tried. I am using a two atom cell, is this the problem?</p>
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