Search found 3 matches
- Mon Mar 19, 2018 10:56 pm
- Forum: Ground state
- Topic: xcart error, can't read floating point variable from string
- Replies: 3
- Views: 3065
Re: xcart error, can't read floating point variable from str
It should be E+00 instead of +E00.
- Mon Mar 19, 2018 10:19 pm
- Forum: Ground state
- Topic: Can ABINIT run one-dimensional material calculations? [SOLVED]
- Replies: 2
- Views: 2910
Re: Can ABINIT run one-dimensional material calculations? [SOLVED]
Dear gfcjyb, Abinit is using periodic boundary conditions such as you have to declare a cell length for the three directions. This means you have to put vacuum in the directions that are not supposed to be periodic to separate the periodic images. Suppose a 1D wire put along x, you have to put the ...
- Sat Mar 17, 2018 2:10 am
- Forum: Ground state
- Topic: Can ABINIT run one-dimensional material calculations? [SOLVED]
- Replies: 2
- Views: 2910
Can ABINIT run one-dimensional material calculations? [SOLVED]
I want to calculate the GW band gap for a one-dimensional material so I used (for example) 5.0 in the acell. After running it, the program told me: message: | There is a problem with the input file : maybe a disagreement between the declared dimension of the array, and the number of data actually pr...