| Re: Bulk Transmission ( No.1 )|
- Date: 2016/12/26 17:10
- Name: T. Ozaki
We found that the manual is very unclear for how the transmission should be calculated.
The following is a proper instruction.
(1) the step 1
Please include the following keywords when you perform the bulk calculation.
where 'lead-chain.hks' should be changed properly.
(2) the step 2
After finishing the SCF calculation by the step 1, please add the following keywords
with keywords related to transmission calculation into the same input files:
and perform the calculation.
Then, you may obtain files related to the transmission.
| Re: Bulk Transmission ( No.2 )|
- Date: 2017/01/07 10:49
- Name: David <email@example.com>
- Thank you so much. I will give it a shot to see if it works this way