Search found 4 matches
- Sat Sep 08, 2012 3:59 pm
- Forum: Response calculations
- Topic: respoonse and Mrgddb problem
- Replies: 0
- Views: 2449
respoonse and Mrgddb problem
Dear Abinit users, I encountered a problem when I use the Mrgddb program to merge my 16 DDB files which obtained by one single response calculation with multi-data sets. I got the following error message during the use of Mrgddb. 0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00 0.00000...
- Wed Jul 04, 2012 11:11 am
- Forum: Ground state
- Topic: DFT+U dmatpawu
- Replies: 2
- Views: 2686
Re: DFT+U dmatpawu
Dear Simon,
Thank you very much for your help and quick reply.
All the best wishes,
Shiyun
Thank you very much for your help and quick reply.
All the best wishes,
Shiyun
- Mon Jul 02, 2012 9:45 am
- Forum: Ground state
- Topic: DFT+U dmatpawu
- Replies: 2
- Views: 2686
DFT+U dmatpawu
Dear ABINIT users, I'm a new learner of ABINIT and I encoutered a problem with dmatpawu when I perform DFT+U calculations. According to the describtion of dmatpawu from abinit website, I should give two 5*5 matrices for dmatpawu when lpawu=2. But I got an error which states ABINIT looking for 200 ar...
- Sun Mar 04, 2012 10:21 am
- Forum: Ground state
- Topic: an error about the number of atom?
- Replies: 3
- Views: 2371
Re: an error about the number of atom?
[code][/code] Dear mima, Last time when I deal with V2O5, I also countered this kind of problem. I solved this problem by changing the sequence of x, y, z in the xred and acell (e.g. the first I used the sequence of x, y, z , and then I changed to x, z, y and problem solved.). I don't know why but y...