Replies : 0 Last Post : May 23, 2019 (Thu) 13:24:16

478

Problem in band structure calculation: blank *_up.spc and *_dn.spc fine

Posted on : May 23, 2019 (Thu) 13:24:16

by Yun-Peng Wang

Dear AkaiKKR developers,
I am a new user of the AkaiKKR code. I have a simple question in band structure calculations. I start from the "nife" example. I run the SCF calculation using the input file as it is. I then change the "go" field to "spc". The code runs. But the files, data/nife_up.spc and data/nife_dn.spc are only blank lines.
My questions:
1) is the calculation procedure, "go" + "spc", correct for band structure calculations?
2) How to solve the blank file problem?
Best wishes,
Yun-Peng Wang

 
 

POST NEW TOPIC

ID (Email)

Password

このたび、AkaiKKRのページをセキュリティ対策の一環として、システムを変更いたしましので、BBSへの書き込みはアカウント登録が必要です。
お手数かけて申し訳ございませんが、登録ページから新規登録をお願いいたします。

For security reasons, we have renewed the AkaiKKR website. Now, you need your account to send a message to BBS. If you do not have an account yet, please register.