Hello.
I have problem about toptic_2.in.My output is only toptic_2_0001_0001linopt.out.I do not know why?log is stoped without error.
sincerely.ASEMAN
Search found 4 matches
- Wed Nov 03, 2010 9:55 am
- Forum: Response calculations
- Topic: question of optic
- Replies: 0
- Views: 2126
- Wed Nov 03, 2010 9:22 am
- Forum: Response calculations
- Topic: question
- Replies: 0
- Views: 2099
question
Hello.
I have problem about toptic_2.in.My output is only toptic_2_0001_0001linopt.out.I do not know why?log is stoped without error.
sincerely.
I have problem about toptic_2.in.My output is only toptic_2_0001_0001linopt.out.I do not know why?log is stoped without error.
sincerely.
- Mon Oct 18, 2010 9:56 am
- Forum: Ground state
- Topic: xred question
- Replies: 2
- Views: 2549
xred question
I am looking for xred for 6H-SiC with spacegroup 186 #Definition of the unit cell acell 3.0730 3.0730 15.11 rprim 1.0 0.0 0.0 -0.5 0.866 0.0 0.0 0.0 1.0 ntypat 2 znucl 14 6 natom 2 typat 1 2 . xred ?????????????????????????????????????????????? ecut 20.0 kptopt 1 ngkpt 2 2 2 nshiftk 1 shiftk 0.0 0....
- Mon Oct 18, 2010 8:39 am
- Forum: Ground state
- Topic: what type of input variable?
- Replies: 2
- Views: 2466
Re: what type of input variable?
I am looking for xred for 6H-SiC with spacegroup 186 #Definition of the unit cell acell 3.0730 3.0730 15.11 rprim 1.0 0.0 0.0 -0.5 0.866 0.0 0.0 0.0 1.0 ntypat 2 znucl 14 6 natom 2 typat 1 2 . xred ?????????????????????????????????????????????? ecut 20.0 kptopt 1 ngkpt 2 2 2 nshiftk 1 shiftk 0.0 0....