Re: [Pw_forum] Calculation of electron-phonon interaction coefficients

2017-02-06 Thread Krishnamohan
me? > > Thanks! > > Andy (Ohio State U, Physics Department) > > ___ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- *Krishnamohan Thekkepat* *Research Associate* *Indo-Kor

Re: [Pw_forum] Phonon simulation of Titanium

2016-07-18 Thread Krishnamohan
--> I use 18 18 12 0 0 0 here, but i recommend you do your own convergence studies. 26 CELL_PARAMETERS (alat) 271.43369 0.0 0.0 28 -0.500021685 0.866062962 0.00000 290.0 0.0 1.615221757 30 Hope this he

Re: [Pw_forum] Spin orbit coupling in MoS2/WS2 systems

2016-05-03 Thread Krishnamohan
correction, > what should be done? I have already done the calculation w/o spin orbit > coupling. > > Thanks in advance. > > Sincerely yours > Kanak > EEE, BUET > > ___ > Pw_forum mailing list > Pw_forum@pwscf.org >