[molpro-user] Electron density distribution

lydia theochemly at gmail.com
Tue Mar 29 15:07:37 BST 2011


Hi Yurii,
Use the following command, you will get the molden file
{put,molden,*.molden}
Note the you can give any name for "*" as you want.

lydia



Message: 2
Date: Tue, 29 Mar 2011 00:35:20 +0200
From: Yurii Vlasov <vlasov.yura at gmail.com>
Subject: [molpro-user] Electron density distribution
To: molpro-user at molpro.net
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       <AANLkTin79Mdyog_qQ+UhsZmt5Zvf-_3ZsYYGEdD+C8Vd at mail.gmail.com>
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Dear molpro users,

Is it possible to obtain  the electron density distribution (file  for
Molden) and for visualizing the electrostatic potential? If yes, could you
give the example

Thank you in advance, Yurii
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