From owner-chemistry@ccl.net Sat Jul 15 04:43:00 2023
From: "Poonam Parkar poonamparkar72..gmail.com" <owner-chemistry|server.ccl.net>
To: CCL
Subject: CCL: DOS/PDOS plot
Message-Id: <-54967-230715044017-8647-jMBfDJ7B1Y38YUQkeyFZRA|server.ccl.net>
X-Original-From: "Poonam  Parkar" <poonamparkar72:+:gmail.com>
Date: Sat, 15 Jul 2023 04:40:14 -0400


Sent to CCL by: "Poonam  Parkar" [poonamparkar72^_^gmail.com]
How to obtain the density of state and partial density of state plots from the 
ORCA file. Is there any input path to run DOS file in ORCA software.


From owner-chemistry@ccl.net Sat Jul 15 06:41:00 2023
From: "Tian Lu sobereva.:.sina.com" <owner-chemistry*server.ccl.net>
To: CCL
Subject: CCL: DOS/PDOS plot
Message-Id: <-54968-230715062846-8200-dy/YMzUo1WZFWld2orMTWA*server.ccl.net>
X-Original-From: "Tian  Lu" <sobereva:sina.com>
Date: Sat, 15 Jul 2023 06:28:44 -0400


Sent to CCL by: "Tian  Lu" [sobereva:+:sina.com]
Hello,

You can use orca_2mkl to convert .gbw file of ORCA to .molden.input file, 
then load it into Multiwfn (http://sobereva.com/multiwfn). Main function 10 
of Multiwfn is able to plot various kinds of DOS map, including TDOS, PDOS, 
OPDOS, LDOS, MO-PDOS, etc. Rich examples are given in Section 4.10 of 
Multiwfn manual.


--------------------------------

Best regards,


Dr. Tian Lu
Beijing Kein Research Center for Natural Sciences, Beijing, P. R. China


----- Original Message -----
> From: "Poonam Parkar poonamparkar72..gmail.com" <owner-chemistry..ccl.net>
To: "Lu, Tian " <sobereva..sina.com>
Subject: CCL: DOS/PDOS plot
Date: 2023-07-15 17:55


Sent to CCL by: "Poonam Parkar" [poonamparkar72^_^gmail.com]
How to obtain the density of state and partial density of state plots from 
the
ORCA file. Is there any input path to run DOS file in ORCA software.