Using VASP

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LEPSILON for graphene

Last post by naidu « Mon May 05, 2014 6:04 am
Replies: 3
by giacomo giorgi » Mon Apr 15, 2013 10:10 am

3 Replies

2892 Views

Last post by naidu
Mon May 05, 2014 6:04 am
Berry Phase--what is the meaning of "*c" for BP term, and should it be zero?

Last post by admin « Wed Apr 30, 2014 12:35 pm
Replies: 1
by kcousins » Mon Apr 28, 2014 6:04 pm

1 Replies

2240 Views

Last post by admin
Wed Apr 30, 2014 12:35 pm
Create trajectory from Optimization steps

Last post by lukasz.rzeznik « Wed Apr 30, 2014 6:57 am
Replies: 1
by an5989 » Tue Apr 29, 2014 6:08 pm

1 Replies

2161 Views

Last post by lukasz.rzeznik
Wed Apr 30, 2014 6:57 am
Reducen mass in frequency calculation

Last post by alex « Wed Apr 23, 2014 12:12 pm
Replies: 1
by revillalopez » Tue Apr 15, 2014 3:24 pm

1 Replies

2009 Views

Last post by alex
Wed Apr 23, 2014 12:12 pm
Regarding TS calculations

Last post by alex « Wed Apr 23, 2014 12:11 pm
Replies: 1
by konda.physics@gmail.com » Sat Apr 19, 2014 1:41 pm

1 Replies

2457 Views

Last post by alex
Wed Apr 23, 2014 12:11 pm
Elastic constant measurement by energy with spin polarization

Last post by admin « Wed Apr 23, 2014 9:09 am
Replies: 1
by terencelz » Mon Apr 14, 2014 2:45 am

1 Replies

2659 Views

Last post by admin
Wed Apr 23, 2014 9:09 am
Rearrange atom coordinates after calculation

Last post by terencelz « Thu Apr 17, 2014 3:35 pm
Replies: 1
by thierno » Tue Apr 15, 2014 2:19 am

1 Replies

2053 Views

Last post by terencelz
Thu Apr 17, 2014 3:35 pm
VASP with BoltzTraP

Last post by szpunarb « Thu Apr 10, 2014 8:28 pm
Replies: 23
by goja25 » Wed Jul 06, 2011 11:38 pm
1

2
23 Replies

34293 Views

Last post by szpunarb
Thu Apr 10, 2014 8:28 pm
PSMAXN error with larger ENMAX?

Last post by nsolomat « Thu Apr 03, 2014 10:57 pm
Replies: 2
by nsolomat » Thu Mar 06, 2014 12:28 am

2 Replies

3778 Views

Last post by nsolomat
Thu Apr 03, 2014 10:57 pm
cohesive energy of Silicon

Last post by Zary « Mon Mar 31, 2014 12:16 pm
Replies: 5
by farzaneh » Tue Sep 07, 2010 7:11 am

5 Replies

9042 Views

Last post by Zary
Mon Mar 31, 2014 12:16 pm
Set Electronic Temperature

Last post by paulfons « Thu Mar 20, 2014 9:10 am
Replies: 2
by robsimps » Fri Feb 14, 2014 9:27 pm

2 Replies

3872 Views

Last post by paulfons
Thu Mar 20, 2014 9:10 am
vdW-dF Change parameters?

Last post by kelum « Tue Mar 11, 2014 1:56 pm
Replies: 1
by novoselov » Sat Mar 08, 2014 10:57 pm

1 Replies

2160 Views

Last post by kelum
Tue Mar 11, 2014 1:56 pm
Very strong oscillation during convergence

Last post by tilak « Sun Mar 09, 2014 1:34 pm
Replies: 1
by tilak » Fri Feb 21, 2014 8:12 am

1 Replies

2431 Views

Last post by tilak
Sun Mar 09, 2014 1:34 pm
different nn-table in VASP & WIEN

Last post by admin « Thu Feb 27, 2014 11:41 am
Replies: 3
by tilak » Tue Feb 25, 2014 9:08 am

3 Replies

2803 Views

Last post by admin
Thu Feb 27, 2014 11:41 am
how to separate "d eps" and "ncg" column?

Last post by admin « Fri Feb 21, 2014 11:20 am
Replies: 1
by tilak » Thu Feb 20, 2014 8:13 pm

1 Replies

2448 Views

Last post by admin
Fri Feb 21, 2014 11:20 am
Work function calculations

Last post by cappri « Thu Feb 20, 2014 5:59 pm
Replies: 6
by cappri » Wed Feb 19, 2014 1:40 pm

6 Replies

7890 Views

Last post by cappri
Thu Feb 20, 2014 5:59 pm
Pt Surface

Last post by cappri « Wed Feb 19, 2014 1:36 pm
Replies: 2
by nkwem » Mon Feb 03, 2014 3:19 pm

2 Replies

2678 Views

Last post by cappri
Wed Feb 19, 2014 1:36 pm
Read WAVECAR file

Last post by KGov « Tue Feb 18, 2014 6:40 pm
Replies: 8
by oamnehc » Fri May 21, 2010 6:12 am

8 Replies

9972 Views

Last post by KGov
Tue Feb 18, 2014 6:40 pm
DFT-D2 of vasp 5.2.12

Last post by zhu « Tue Feb 18, 2014 2:44 pm
Replies: 1
by zhu » Tue Feb 18, 2014 2:41 pm

1 Replies

2167 Views

Last post by zhu
Tue Feb 18, 2014 2:44 pm
LDOS and work function

Last post by cappri « Tue Feb 18, 2014 1:36 pm
Replies: 8
by a.soon » Fri Dec 03, 2004 1:37 am

8 Replies

22311 Views

Last post by cappri
Tue Feb 18, 2014 1:36 pm

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