Re: [Wien] (no subject)

2015-12-23 Thread said chibani
d? > Just go to your case directory and type > init_lapw > With best regards > Tomas > > -- Původní zpráva -- > Od: said chibani <chibanisaid...@gmail.com> > Komu: wien@zeus.theochem.tuwien.ac.at > Datum: 23. 12. 2015 12:10:24 > Předmět: [Wien] (no

Re: [Wien] (no subject)

2015-12-24 Thread said chibani
theochem.tuwien.ac.at/msg11129.html > http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg11434.html > > > On 12/23/2015 4:59 PM, said chibani wrote: > > DEAR TOMAS > thank you for your answer but I d'ont understand this solution because I > m a new in the progr

[Wien] (no subject)

2015-12-23 Thread said chibani
- I am running wien2k version 14.2 on a system of type ubunto 12-04 LTS I'm a new user of WIEN2k. I installed WIEN2k in ubuntu 12.04 I tried the TiC calculation, but it doesn't work. When I click the "x dstart" on the page of "initialize calculation" this is displayed. error: command

Re: [Wien] (no subject)

2016-01-21 Thread said chibani
ine 1015 in > SRC_mixer/mixer.F (of WIEN2k 14.2) > > BACKSPACE(2) > write(22,*)':WARNING: K-list has changed' > > or perhaps somewhere before/after one or both of the read statements (line > 161 or 174 or 183) in SRC_mixer/scfana.f would probably fix the problem. > > On

Re: [Wien] (no subject)

2016-01-19 Thread said chibani
of file nn.f (unit = 20, file = 'WIEN2k.struct') Fortran runtime error: End of file 0.0u 0.0s 0:01.89 0.0% 0+0k 0+0io 0pf+0w error: command /home/said/Documents/nn nn.def failed I could not solve this problem give me a solution at this problem 2015-12-23 12:08 GMT+01:00 said chibani <chibanis

Re: [Wien] (no subject)

2016-01-20 Thread said chibani
ive [ > http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg05727.html > ]. > > On 1/19/2016 6:48 AM, said chibani wrote: > > Dear WIEN2K users I'm new in wien2k, when I tried the the example of > GaAS, but it doesn't work > > :~/WIEN2k$ ./GaAs.struct >

Re: [Wien] (no subject)

2016-03-03 Thread said chibani
t; > Karel > > > > > --- x --- > dr. Karel Vyborny > Fyzikalni ustav AV CR, v.v.i. > Cukrovarnicka 10 > Praha 6, CZ-16253 > tel: +420220318459 > > > On Wed, 2 Mar 2016, said chibani wrote: > > Dear Wien Users ,how to interpret the graphs

Re: [Wien] (no subject)

2016-03-07 Thread said chibani
Dear Wien Users , how to determine optical gap from the graph of optical properties ? is determine from the graph of absorption coefficient? and how ? 2016-03-02 12:32 GMT+01:00 said chibani <chibanisaid...@gmail.com>: > Dear Wien Users , > how to interpret the graphs of the optica

[Wien] (no subject)

2016-03-07 Thread said chibani
Dear Wien Users , how to determine optical gap from the graph of optical properties ? is determine from the graph of absorption coefficient? and how ? ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at

[Wien] (no subject)

2016-03-02 Thread said chibani
Dear Wien Users , how to interpret the graphs of the optical properties ( The imaginary part of the complex dielectric and real part , the reflectivity R( w ),the refractive index n( w ),the absorption coefficients, the electron energy-loss function L( w )). Please, could you help me? Best