From 474b451d0922cfc7bbe999529cab2f64520cf96f Mon Sep 17 00:00:00 2001 From: Ahmad Abdolmaleki Date: Wed, 9 Nov 2016 11:45:55 +0330 Subject: [PATCH] Update README.md --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index 977ea1d..bc019c6 100644 --- a/README.md +++ b/README.md @@ -2,7 +2,7 @@ extract hyperpolarizability (and polarizability and dipole moment) components from Gaussian 09 output. -1) You must use POLAR and #P keywords in the root section of your Gaussian input (for mp2 or higher level of calculation you should use Polar=cubic or Polar=EnOnly or Polar=DubleNumber, SEE: http://www.gaussian.com/g_tech/g_ur/k_polar.htm). +1) You must use POLAR and #P keywords in the root section of your Gaussian input (for mp2 or higher level of calculation you should use Polar=cubic or Polar=EnOnly or Polar=DubleNumber, SEE: http://www.gaussian.com/g_tech/g_ur/k_polar.htm) and also density=current. 2) Run Gaussian: g09 < yourinput.com > youroutput.log