[Smeagol-discuss] Smeagol-discuss Digest, Vol 15, Issue 9

[ambavale sagar]

Dear Serhan,
Yes, number of k-points in z-direction must be 1. While no. of k pts in x and y direction may have any values though they should be same in both lead and transport calculations. 

if you may have k-points for leads
4 0 0 
0 4 0
0 0 100

then transport file must have
4 0 0 

0 4 0

0 0 1


Regards
Sagar Ambavale



Message: 1
Date: Wed, 18 Mar 2009 06:15:24 +0200
From: Serhan Yamacli <syamacli at gmail.com>
Subject: [Smeagol-discuss] End of file reached
To: smeagol-discuss at lists.tchpc.tcd.ie
Message-ID:
    <42e7de20903172115r7f29711fk529eb6a761686679 at mail.gmail.com>
Content-Type: text/plain; charset="iso-8859-1"

 Hi asa,

Thank you very much for the answer. Must I use the k points as

1 0 0
0 1 0
0 0 1

always during transport calculation? But I can take such as

1 0 0
0 1 0
0 0 100

during leads calculation? Thanks again.

Cheers
Serhan

2009/3/18 asa aravindh <mails2asa at gmail.com>





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