thank you for your reply
Search found 7 matches
- Sun Jun 26, 2016 10:37 am
- Forum: Ground state
- Topic: problem with anaddb
- Replies: 2
- Views: 3155
Re: problem with anaddb
This was a problem with a variable (rfatpol 1 2) I left the same as the test file while TiO2 has 6 atoms per cell I have to change it to (rfatpol 1 6)
thank you for your reply
thank you for your reply
- Sun Jun 26, 2016 10:27 am
- Forum: Response calculations
- Topic: Raman spectrum
- Replies: 2
- Views: 4226
Re: Raman spectrum
thank you for your reply 
- Tue Jun 21, 2016 6:35 pm
- Forum: Response calculations
- Topic: Raman spectrum
- Replies: 2
- Views: 4226
Raman spectrum
Hi abinit users
how i can calculate the raman spectrum from the file tnlo_5.out
how i can calculate the raman spectrum from the file tnlo_5.out
- Tue Jun 21, 2016 12:14 pm
- Forum: Response calculations
- Topic: Segmentation fault (core dumped) problem in NLO calculation [SOLVED]
- Replies: 5
- Views: 9319
Re: Segmentation fault (core dumped) problem in NLO calculat [SOLVED]
Hi Xiaole
i have the same problem for calculate NLO of TiO2, have you solved this problem?
i have the same problem for calculate NLO of TiO2, have you solved this problem?
- Mon Jun 20, 2016 5:36 pm
- Forum: Ground state
- Topic: problem with anaddb
- Replies: 2
- Views: 3155
problem with anaddb
Hi everybody i want to calculat the raman spectrum: befor, i worked with the test files tnlo_2, tnlo_3, tnlo_4 and tnlo_5 everything is fine but when i want to calculate raman spectrum for TiO2 there is a problem with anadbb Program received signal SIGSEGV: segmentation fault - invalid memory refere...
- Wed Jul 29, 2015 5:38 pm
- Forum: Ground state
- Topic: How to get a file in .fhi format to be opened in Windows?
- Replies: 2
- Views: 3322
Re: How to get a file in .fhi format to be opened in Windows
open it with wordPad
- Wed Jul 22, 2015 4:47 pm
- Forum: Ground state
- Topic: primitive cell
- Replies: 1
- Views: 2289
primitive cell
hi
i have a problem with my lattice
the lattice is not primitive cell i can use chkprim but i want to have a primitive cell from my lattice but i dont how
i know that i use brvltt -1 but in the output file or log it has just the acell and not the coordinate and angle
can you help me please
i have a problem with my lattice
the lattice is not primitive cell i can use chkprim but i want to have a primitive cell from my lattice but i dont how
i know that i use brvltt -1 but in the output file or log it has just the acell and not the coordinate and angle
can you help me please