[Wien] Hubbard calculation

Hi I am trying to perform LiCoO2 calculation using hubbard methods. when ı wanna do SCF run ı am using runsp_lapw -orb or runsp_c_lapw -orb and ı am getting error. and error says scf1up. no such file... what should ı do? -- Yrd Doc Dr. Murat Aycibin Van Yuzuncu Yil Universitesi Fizik Bolumu

[Wien] DFT+U supercell calculation

. Murat Aycibin Van Yuzuncu Yil Universitesi Fizik Bolumu ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at

[Wien] Supercell calculation with DFT+U potential

. The fies are correct or what should I do? -- Doc Dr. Murat Aycibin Mersin Universitesi Fizik Bolumu ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail

[Wien] Error in paralel Lapw1

program-specific parallelization: #omp_lapw0:4 #omp_lapw1:4 #omp_lapw2:4 #omp_lapwso:4 #omp_dstart:4 #omp_sumpara:4 #omp_nlvdw:4 . I do not have any idea what is wrong now. -- Yrd Doc Dr. Murat Aycibin Van Yuzuncu Yil Universitesi Fizik Bolumu ___ Wien

[Wien] error 'n paralel lapw1

in Parallel LAPW1 ** LAPW1 STOPPED at Çrş 27 Oca 2021 15:40:55 +03 ** check ERROR FILES! Error in LAPW1 Error in LAPW1 Error in LAPW1 Error in LAPW1 Error in LAPW1 Error in LAPW1 Error in LAPW1 Error in LAPW1 Error in LAPW1 -- Yrd Doc Dr. Murat Aycibin Van Yuzuncu Yil Universitesi Fizik Bolumu

[Wien] Run SCF for Supercell ZnO:Mg

ory LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW0 END hup: Command not found. What should i do_ how i can come over from this problem. Thanks for suggestion -- Yrd Doc Dr. Murat Aycibin Van Yuzuncu Yil Universitesi Fizik Bol

[Wien] Optic calculation in paralel mode

uld not come cross with this error message searching through ols e mail messages -- Yrd Doc Dr. Murat Aycibin Van Yuzuncu Yil Universitesi Fizik Bolumu ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.

[Wien] Using Phonon 6.15 in Wien2k

for each atom or is there any example which ı can use to create .hff file for choosing example -- Yrd Doc Dr. Murat Aycibin Van Yuzuncu Yil Universitesi Fizik Bolumu ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at