Using VASP

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modified Becke-Johnson potential

Last post by support_vasp « Wed Sep 11, 2024 2:43 pm
Replies: 1
by lamoen » Wed Jun 22, 2011 10:53 pm

1 Replies

3046 Views

Last post by support_vasp
Wed Sep 11, 2024 2:43 pm
cohesive energy

Last post by support_vasp « Wed Sep 11, 2024 2:42 pm
Replies: 1
by gueddida » Fri Apr 08, 2011 1:31 pm

1 Replies

2650 Views

Last post by support_vasp
Wed Sep 11, 2024 2:42 pm
FFT grid and cutoff energy.

Last post by support_vasp « Wed Sep 11, 2024 2:42 pm
Replies: 1
by zhaohs.dft » Tue May 31, 2011 5:05 pm

1 Replies

3148 Views

Last post by support_vasp
Wed Sep 11, 2024 2:42 pm
Chemical potential of N2

Last post by support_vasp « Wed Sep 11, 2024 2:42 pm
Replies: 1
by okeke » Fri Jul 15, 2011 12:35 am

1 Replies

3176 Views

Last post by support_vasp
Wed Sep 11, 2024 2:42 pm
Effective pressure due to surface tension

Last post by support_vasp « Wed Sep 11, 2024 2:42 pm
Replies: 1
by chris_feigl » Tue May 31, 2011 1:04 pm

1 Replies

3298 Views

Last post by support_vasp
Wed Sep 11, 2024 2:42 pm
forrtl: severe (41): insufficient virtual memory

Last post by support_vasp « Wed Sep 11, 2024 2:42 pm
Replies: 1
by s9811016 » Thu Apr 07, 2011 1:26 pm

1 Replies

5331 Views

Last post by support_vasp
Wed Sep 11, 2024 2:42 pm
Of DOS projected on localized molecular orbital

Last post by support_vasp « Wed Sep 11, 2024 2:42 pm
Replies: 1
by yellowice » Thu Jul 14, 2011 1:33 pm

1 Replies

2745 Views

Last post by support_vasp
Wed Sep 11, 2024 2:42 pm
calculation of plasmon frequency

Last post by support_vasp « Wed Sep 11, 2024 2:41 pm
Replies: 1
by lamoen » Mon May 30, 2011 7:56 pm

1 Replies

4014 Views

Last post by support_vasp
Wed Sep 11, 2024 2:41 pm
Ab-initio MD calculations (smass, temperature, diiffusion)

Last post by support_vasp « Wed Sep 11, 2024 2:41 pm
Replies: 1
by amayuki » Mon May 30, 2011 6:38 pm

1 Replies

4706 Views

Last post by support_vasp
Wed Sep 11, 2024 2:41 pm
Help me to calculate the elastic constant please.

Last post by support_vasp « Wed Sep 11, 2024 2:41 pm
Replies: 1
by Narasuk.P » Wed May 25, 2011 1:01 pm

1 Replies

3756 Views

Last post by support_vasp
Wed Sep 11, 2024 2:41 pm
problem of calculating dielectric constant

Last post by support_vasp « Wed Sep 11, 2024 2:41 pm
Replies: 1
by pengx » Thu Jul 07, 2011 1:56 pm

1 Replies

4325 Views

Last post by support_vasp
Wed Sep 11, 2024 2:41 pm
Setting energy range for band structure calculations

Last post by support_vasp « Wed Sep 11, 2024 2:41 pm
Replies: 1
by kzhuo3 » Wed Jul 06, 2011 12:35 pm

1 Replies

3025 Views

Last post by support_vasp
Wed Sep 11, 2024 2:41 pm
Calculation for MD of small cluster

Last post by support_vasp « Wed Sep 11, 2024 2:41 pm
Replies: 1
by himadri.de » Tue Jul 05, 2011 2:12 pm

1 Replies

2854 Views

Last post by support_vasp
Wed Sep 11, 2024 2:41 pm
dft+d2 in vasp

Last post by support_vasp « Wed Sep 11, 2024 2:41 pm
Replies: 1
by cpopa » Sun Jul 03, 2011 11:30 pm

1 Replies

2721 Views

Last post by support_vasp
Wed Sep 11, 2024 2:41 pm
OPTIC - in OUTCAR file there is no dielectric function

Last post by support_vasp « Wed Sep 11, 2024 2:41 pm
Replies: 1
by hakan » Fri Jul 01, 2011 11:21 am

1 Replies

3085 Views

Last post by support_vasp
Wed Sep 11, 2024 2:41 pm
Big energy fluctuations from MD runs

Last post by support_vasp « Wed Sep 11, 2024 2:40 pm
Replies: 1
by tibeten » Wed Jun 29, 2011 10:42 pm

1 Replies

2678 Views

Last post by support_vasp
Wed Sep 11, 2024 2:40 pm
For HSE06 calculation, should I use ISIF=2 instead of 3 ?

Last post by support_vasp « Wed Sep 11, 2024 2:40 pm
Replies: 1
by Minki » Mon Jun 27, 2011 9:11 pm

1 Replies

2872 Views

Last post by support_vasp
Wed Sep 11, 2024 2:40 pm
wannier90

Last post by support_vasp « Wed Sep 11, 2024 2:40 pm
Replies: 1
by Sifimid » Thu Jul 30, 2009 11:42 am

1 Replies

3343 Views

Last post by support_vasp
Wed Sep 11, 2024 2:40 pm
Spin-orbit and magnetization component

Last post by support_vasp « Wed Sep 11, 2024 2:40 pm
Replies: 1
by brsahu » Fri May 22, 2009 7:24 pm

1 Replies

3520 Views

Last post by support_vasp
Wed Sep 11, 2024 2:40 pm
Tortional rigidity

Last post by support_vasp « Wed Sep 11, 2024 2:40 pm
Replies: 1
by monoj » Tue Dec 01, 2009 1:33 pm

1 Replies

3074 Views

Last post by support_vasp
Wed Sep 11, 2024 2:40 pm

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