Using VASP

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Access to P4VASP

Last post by metosa « Tue Aug 31, 2010 9:37 am
Replies: 1
by munvasp » Mon Aug 30, 2010 4:10 pm

1 Replies

1162 Views

Last post by metosa
Tue Aug 31, 2010 9:37 am
How to calculate the vibrational entropy of a certain substance at some temperature?

Last post by forsdan « Tue Aug 31, 2010 9:20 am
Replies: 3
by tssunrise » Mon Aug 30, 2010 2:37 am

3 Replies

4545 Views

Last post by forsdan
Tue Aug 31, 2010 9:20 am
convergence problem using VASP 5.2

Last post by zhu « Tue Aug 31, 2010 4:27 am
Replies: 1
by zhu » Mon Aug 30, 2010 1:00 am

1 Replies

957 Views

Last post by zhu
Tue Aug 31, 2010 4:27 am
DFT+U

Last post by apple « Mon Aug 30, 2010 4:41 pm
Replies: 2
by apple » Mon Aug 30, 2010 12:21 am

2 Replies

1443 Views

Last post by apple
Mon Aug 30, 2010 4:41 pm
MD determin the structure

Last post by vasp16888 « Mon Aug 30, 2010 8:59 am
Replies: 2
by vasp16888 » Wed Aug 11, 2010 8:49 am

2 Replies

2119 Views

Last post by vasp16888
Mon Aug 30, 2010 8:59 am
EIGENVAL file kpoint coordinates not matching KPOINTS file

Last post by lyon0100 « Sun Aug 29, 2010 9:45 pm
Replies: 1
by lyon0100 » Sat Aug 28, 2010 8:51 am

1 Replies

2573 Views

Last post by lyon0100
Sun Aug 29, 2010 9:45 pm
one question about 'Pstress'

Last post by enya « Sun Aug 29, 2010 6:10 pm
Replies: 1
by zyang » Sat Aug 28, 2010 10:16 pm

1 Replies

1886 Views

Last post by enya
Sun Aug 29, 2010 6:10 pm
How to find Band GAp when there is fractional occupancy

Last post by metosa « Sat Aug 28, 2010 6:14 pm
Replies: 1
by omkar.nene » Sat Aug 28, 2010 12:20 pm

1 Replies

1593 Views

Last post by metosa
Sat Aug 28, 2010 6:14 pm
Atomic relaxations in cartesian

Last post by metosa « Fri Aug 27, 2010 2:53 am
Replies: 2
by sergio » Thu Aug 26, 2010 7:04 pm

2 Replies

2086 Views

Last post by metosa
Fri Aug 27, 2010 2:53 am
Dipole correction for slabs

Last post by admin « Thu Aug 26, 2010 2:50 pm
Replies: 1
by giacomo giorgi » Wed Aug 04, 2010 10:39 am

1 Replies

5263 Views

Last post by admin
Thu Aug 26, 2010 2:50 pm
how to get frequency dependent dilectric constant

Last post by admin « Thu Aug 26, 2010 2:43 pm
Replies: 1
by hpaudel » Wed Aug 04, 2010 11:12 pm

1 Replies

1747 Views

Last post by admin
Thu Aug 26, 2010 2:43 pm
View input files?

Last post by metosa « Thu Aug 26, 2010 8:37 am
Replies: 3
by snk13 » Wed Aug 25, 2010 5:55 pm

3 Replies

2941 Views

Last post by metosa
Thu Aug 26, 2010 8:37 am
error reading LOPCOT file

Last post by metosa « Tue Aug 24, 2010 3:14 pm
Replies: 1
by dinhloc1984 » Thu Aug 19, 2010 6:59 am

1 Replies

2047 Views

Last post by metosa
Tue Aug 24, 2010 3:14 pm
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

1209 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

1247 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

2011 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

2643 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

8077 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

3430 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

1208 Views

Last post by forsdan
Sat Aug 07, 2010 11:11 am

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