Using VASP

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partial optimization

Last post by forsdan « Sat Aug 21, 2010 10:28 am
Replies: 1
by giacomo giorgi » Fri Aug 20, 2010 3:26 am

1 Replies

2973 Views

Last post by forsdan
Sat Aug 21, 2010 10:28 am
initial density matrix for LDA+U

Last post by boris « Fri Aug 20, 2010 11:24 am
Replies: 1
by alex1981 » Thu Aug 19, 2010 11:21 pm

1 Replies

3030 Views

Last post by boris
Fri Aug 20, 2010 11:24 am
nagtive value CHGCAR file

Last post by hanyuhonest « Sun Aug 15, 2010 3:49 pm
Replies: 4
by hanyuhonest » Sat Aug 14, 2010 12:19 pm

4 Replies

5138 Views

Last post by hanyuhonest
Sun Aug 15, 2010 3:49 pm
CHGCAR file

Last post by hanyuhonest « Sat Aug 14, 2010 11:53 am
Replies: 4
by beyza » Tue Jul 13, 2010 9:36 am

4 Replies

5598 Views

Last post by hanyuhonest
Sat Aug 14, 2010 11:53 am
How to differentiate Raman and Infrared in VASP phonon calculation?

Last post by alex « Wed Aug 11, 2010 9:24 am
Replies: 5
by lisakite99 » Thu Jul 08, 2010 5:45 pm

5 Replies

13338 Views

Last post by alex
Wed Aug 11, 2010 9:24 am
How to plot the ELF figure?

Last post by imcnab « Sat Aug 07, 2010 10:55 pm
Replies: 3
by rzhuang » Thu Sep 25, 2008 2:59 am

3 Replies

6414 Views

Last post by imcnab
Sat Aug 07, 2010 10:55 pm
Is it possible to apply an external electric field in a diagonal direction?

Last post by forsdan « Sat Aug 07, 2010 11:11 am
Replies: 1
by sigi14 » Fri Aug 06, 2010 10:36 pm

1 Replies

2941 Views

Last post by forsdan
Sat Aug 07, 2010 11:11 am
GW0 and Band Structure

Last post by hpaudel « Thu Aug 05, 2010 9:10 pm
Replies: 6
by panda » Mon Nov 09, 2009 5:40 pm

6 Replies

6549 Views

Last post by hpaudel
Thu Aug 05, 2010 9:10 pm
Macroscopic dielectric matrix from GW0

Last post by monazam « Thu Aug 05, 2010 3:25 pm
Replies: 5
by ssharifz » Thu Dec 17, 2009 6:06 pm

5 Replies

6201 Views

Last post by monazam
Thu Aug 05, 2010 3:25 pm
questions on NUPDOWN

Last post by fegg7502 « Wed Aug 04, 2010 3:11 pm
Replies: 1
by luke419 » Mon Aug 02, 2010 6:07 am

1 Replies

5481 Views

Last post by fegg7502
Wed Aug 04, 2010 3:11 pm
Some negative values in DOSCAR file

Last post by phuongvlpt « Fri Jul 30, 2010 4:58 pm
Replies: 4
by phuongvlpt » Thu Jul 29, 2010 8:37 am

4 Replies

5842 Views

Last post by phuongvlpt
Fri Jul 30, 2010 4:58 pm
Reference energy in VASP

Last post by jhlee « Fri Jul 30, 2010 2:23 pm
Replies: 2
by jhlee » Thu Jul 29, 2010 9:23 pm

2 Replies

4306 Views

Last post by jhlee
Fri Jul 30, 2010 2:23 pm
CONTCAR FILE

Last post by forsdan « Fri Jul 23, 2010 8:54 am
Replies: 3
by subhadip das » Thu Jul 22, 2010 7:30 pm

3 Replies

4902 Views

Last post by forsdan
Fri Jul 23, 2010 8:54 am
GGA/LDA+U method

Last post by boris « Fri Jul 23, 2010 8:20 am
Replies: 1
by apple » Fri Jul 23, 2010 2:59 am

1 Replies

3201 Views

Last post by boris
Fri Jul 23, 2010 8:20 am
frequency calculation

Last post by alex « Wed Jul 21, 2010 3:21 pm
Replies: 3
by tssunrise » Wed Jul 21, 2010 10:08 am

3 Replies

4678 Views

Last post by alex
Wed Jul 21, 2010 3:21 pm
questions on GGA for transition metal

Last post by alex « Tue Jul 20, 2010 6:34 am
Replies: 3
by luke419 » Sun Jul 18, 2010 1:36 pm

3 Replies

4766 Views

Last post by alex
Tue Jul 20, 2010 6:34 am
ZnO band structure

Last post by admin « Mon Jul 19, 2010 11:09 am
Replies: 1
by vadlpos » Wed Jul 07, 2010 9:12 am

1 Replies

4120 Views

Last post by admin
Mon Jul 19, 2010 11:09 am
negative value of the static dielectric constant

Last post by wahyu « Thu Jul 15, 2010 3:12 pm
Replies: 1
by linglin » Tue Aug 11, 2009 2:36 am

1 Replies

3820 Views

Last post by wahyu
Thu Jul 15, 2010 3:12 pm
working on graphene sheet using VASP

Last post by forsdan « Thu Jul 15, 2010 9:19 am
Replies: 1
by Isha » Thu Jul 15, 2010 8:49 am

1 Replies

3264 Views

Last post by forsdan
Thu Jul 15, 2010 9:19 am
Eigenvalue shifting - alpha+bet term

Last post by asija « Wed Jul 14, 2010 11:16 am
Replies: 5
by cdt9f » Fri Aug 26, 2005 7:18 pm

5 Replies

8685 Views

Last post by asija
Wed Jul 14, 2010 11:16 am

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